Geometry & MOs

Info

ID:	398938
PubChem CID:	135036448
Reduced:	O2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	730.346546
ΔH_f, kcal/mol:	-41.26
Dipole, Da:	1.93
IP(EA), eV:	-9.07(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(2R,4S,5R,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[(2R,3S)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione

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

CCOC(=O)C1(CCC=C1C2=CC=CC=C2)CC3=CC=CC=C3

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

CCOC(=O)C1(CCC=C1C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):