Geometry & MOs

Info

ID:

164149

PubChem CID:

74382096

Reduced:

ON5C25H29 (1)

Stoich.:

AB5C25D29 (1)

Weight, g/mol:

802.513217

ΔHf, kcal/mol:

38.81

Dipole, Da:

2.59

IP(EA), eV:

 -8.69(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3a-[2-[3-(2-carboxyethylcarbamoyl)phenyl]ethylcarbamoyl]-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(C)CC1CN(CCN1)C2=NC(=C(C=C2)C3=CC=CC=C3)C(=O)C4=C(N=CC=C4)N

DOS

IR

Vibrations