Geometry & MOs

Info

ID:

109871

PubChem CID:

50300340

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-178.64

Dipole, Da:

4.7

IP(EA), eV:

 -8.64(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations