Geometry & MOs

Info

ID:

113706

PubChem CID:

50455780

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

682.347883

ΔHf, kcal/mol:

-199.48

Dipole, Da:

8.75

IP(EA), eV:

 -8.78(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)OC)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations