Geometry & MOs

Info

ID:

105241

PubChem CID:

50106717

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-205.62

Dipole, Da:

7.43

IP(EA), eV:

 -8.89(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-chloro-3-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C

DOS

IR

Vibrations