Geometry & MOs

Info

ID:

111318

PubChem CID:

50362262

Reduced:

O4N5C34H45 (1)

Stoich.:

A4B5C34D45 (1)

Weight, g/mol:

686.379183

ΔHf, kcal/mol:

-172.14

Dipole, Da:

4.22

IP(EA), eV:

 -8.78(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5

DOS

IR

Vibrations