Geometry & MOs

Info

ID:

95682

PubChem CID:

50012183

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-201.09

Dipole, Da:

7.01

IP(EA), eV:

 -9.02(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations