Geometry & MOs

Info

ID:

173365

PubChem CID:

75628652

Reduced:

SN13O14C50H83 (1)

Stoich.:

AB13C14D50E83 (1)

Weight, g/mol:

513.381809

ΔHf, kcal/mol:

-674.95

Dipole, Da:

7.27

IP(EA), eV:

 -8.23(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 9-hydroxyimino-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCCCN)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations