Geometry & MOs

Info

ID:	308584
PubChem CID:	126497089
Reduced:	N2O3H16C24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	656.428819
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	4.68
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,6aR,8R,8aR,9R,10R,14bR)-3,8,9-trihydroxy-8a-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-10-(3-methylbut-2-enoyloxy)-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-4-yl]methyl 3-methylbut-2-enoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC2=C1C=CC3=C2C(C4=C(O3)C=CC5=C4C=C(C=C5)O)C6=CN=CN6)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC2=C1C=CC3=C2C(C4=C(O3)C=CC5=C4C=C(C=C5)O)C6=CN=CN6)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):