Geometry & MOs

Info

ID:

120425

PubChem CID:

50726444

Reduced:

ClO5N6C37H37 (1)

Stoich.:

AB5C6D37E37 (1)

Weight, g/mol:

678.212424

ΔHf, kcal/mol:

-139.45

Dipole, Da:

7.04

IP(EA), eV:

 -8.89(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations