Geometry & MOs

Info

ID:

187953

PubChem CID:

77647278

Reduced:

O3N5C32H37 (1)

Stoich.:

A3B5C32D37 (1)

Weight, g/mol:

620.297426

ΔHf, kcal/mol:

-64.76

Dipole, Da:

1.77

IP(EA), eV:

 -8.38(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-N-[3-hydroxy-1-phenyl-4-[2-[3-(trifluoromethyl)phenyl]propan-2-ylamino]butan-2-yl]-4-(2-oxopyrrolidin-1-yl)indole-6-carboxamide

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC4=C(C=C3)NC=C4)O)N5CCCC5=O

DOS

IR

Vibrations