Geometry & MOs

Info

ID:	26054
PubChem CID:	637232
Reduced:	NO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	456.360345
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	2.38
IP(EA), eV:	-8.62(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,6aR,6bR,8aR,10S,12aR,14aS,14bR)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

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

CC[C@@H](C)C[C@@H](C)/C=C(\C)/C=C/C=C/C(=O)C1=C(NC=C(C1=O)C2=CC=C(C=C2)O)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

CC[C@@H](C)C[C@@H](C)/C=C(\C)/C=C/C=C/C(=O)C1=C(NC=C(C1=O)C2=CC=C(C=C2)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):