Geometry & MOs

Info

ID:

111454

PubChem CID:

50368583

Reduced:

N5O5C29H37 (1)

Stoich.:

A5B5C29D37 (1)

Weight, g/mol:

636.327148

ΔHf, kcal/mol:

-185.79

Dipole, Da:

3.04

IP(EA), eV:

 -8.92(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(dimethylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations