Geometry & MOs

Info

ID:	44626
PubChem CID:	10504533
Reduced:	NOS2H27C29 (1)
Stoich.:	ABC2D27E29 (1)
Weight, g/mol:	469.39198
ΔH_f, kcal/mol:	89.84
Dipole, Da:	3.4
IP(EA), eV:	-8.23(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-amino-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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[C@H]([C@H](N1CC2=CC=CC=C2)C(SC3=CC=CC=C3)SC4=CC=CC=C4)OC5=CC=CC=C5

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[C@H]([C@H](N1CC2=CC=CC=C2)C(SC3=CC=CC=C3)SC4=CC=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):