Geometry & MOs

Info

ID:

105955

PubChem CID:

50144112

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-216.66

Dipole, Da:

11.86

IP(EA), eV:

 -8.64(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(3-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C

DOS

IR

Vibrations