Geometry & MOs

Info

ID:

92399

PubChem CID:

49985644

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-216.77

Dipole, Da:

4.78

IP(EA), eV:

 -9.11(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC(C)C

DOS

IR

Vibrations