Geometry & MOs

Info

ID:

106016

PubChem CID:

50146347

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-163.48

Dipole, Da:

3.13

IP(EA), eV:

 -9.13(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamido-3-chloroanilino)-3-oxopropyl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC(C)C4=CC=CC=C4)C

DOS

IR

Vibrations