Geometry & MOs

Info

ID:

170325

PubChem CID:

75217088

Reduced:

FNO8C17H24 (1)

Stoich.:

ABC8D17E24 (1)

Weight, g/mol:

716.440052

ΔHf, kcal/mol:

-397.48

Dipole, Da:

2.0

IP(EA), eV:

 -9.46(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]-5-(3-methoxyanilino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)F)O.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations