Geometry & MOs

Info

ID:

106731

PubChem CID:

50174471

Reduced:

N5O6C35H41 (1)

Stoich.:

A5B6C35D41 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-192.59

Dipole, Da:

5.39

IP(EA), eV:

 -8.28(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations