Geometry & MOs

Info

ID:

104442

PubChem CID:

50104292

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-212.21

Dipole, Da:

6.7

IP(EA), eV:

 -8.74(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations