Geometry & MOs

Info

ID:

163876

PubChem CID:

74380590

Reduced:

N2F4O8C21H26 (1)

Stoich.:

A2B4C8D21E26 (1)

Weight, g/mol:

755.343132

ΔHf, kcal/mol:

-502.74

Dipole, Da:

3.04

IP(EA), eV:

 -9.06(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[[2-[3-(4-hydroxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C(=N1)OC2(C(C(C(C(O2)CO)O)O)O)O)CC3=C(C=C(C=C3)OC)F)C(F)(F)F

DOS

IR

Vibrations