Geometry & MOs

Info

ID:

164110

PubChem CID:

74382027

Reduced:

ON5C18H23 (1)

Stoich.:

AB5C18D23 (1)

Weight, g/mol:

844.560167

ΔHf, kcal/mol:

25.36

Dipole, Da:

5.33

IP(EA), eV:

 -8.76(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[3-[[[9-(3-carboxy-3-methylbutanoyl)oxy-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]chrysene-3a-carbonyl]amino]methyl]benzoyl]amino]heptanoic acid

Drug info:

PubChemData

Smile

CC(C)C1CN(CCN1)C2=CC=CC(=N2)C(=O)C3=C(N=CC=C3)N

DOS

IR

Vibrations