Geometry & MOs

Info

ID:

164170

PubChem CID:

74382167

Reduced:

ON5C22H27 (1)

Stoich.:

AB5C22D27 (1)

Weight, g/mol:

801.529202

ΔHf, kcal/mol:

43.75

Dipole, Da:

2.74

IP(EA), eV:

 -8.41(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3a-[[2-(2-acetamidoethylcarbamoyl)phenyl]methylcarbamoyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC#CC1=C(N=C(C=C1)N2CCNC(C2)CC(C)C)C(=O)C3=C(N=CC=C3)N

DOS

IR

Vibrations