Geometry & MOs

Info

ID:

108823

PubChem CID:

50260531

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-181.19

Dipole, Da:

10.88

IP(EA), eV:

 -8.41(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)C

DOS

IR

Vibrations