Geometry & MOs

Info

ID:

176218

PubChem CID:

76012895

Reduced:

NO5C33H53 (1)

Stoich.:

AB5C33D53 (1)

Weight, g/mol:

619.423674

ΔHf, kcal/mol:

-295.49

Dipole, Da:

2.0

IP(EA), eV:

 -9.45(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)NC(CO)C(=O)O

DOS

IR

Vibrations