Geometry & MOs

Info

ID:

168262

PubChem CID:

74942161

Reduced:

SN6O10C46H48 (1)

Stoich.:

AB6C10D46E48 (1)

Weight, g/mol:

526.40221

ΔHf, kcal/mol:

-233.3

Dipole, Da:

7.17

IP(EA), eV:

 -8.77(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-butanoyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CNC(=O)C=C)C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C#C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6

DOS

IR

Vibrations