Geometry & MOs

Info

ID:

94544

PubChem CID:

50002205

Reduced:

ClO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-243.48

Dipole, Da:

13.86

IP(EA), eV:

 -8.77(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[5-chloro-2-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC(C)CC

DOS

IR

Vibrations