Geometry & MOs

Info

ID:

90159

PubChem CID:

49966965

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

607.292532

ΔHf, kcal/mol:

-204.04

Dipole, Da:

5.69

IP(EA), eV:

 -8.3(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C)OC

DOS

IR

Vibrations