Geometry & MOs

Info

ID:

107592

PubChem CID:

50210069

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-219.66

Dipole, Da:

3.08

IP(EA), eV:

 -8.3(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)OC)C

DOS

IR

Vibrations