Geometry & MOs

Info

ID:

120625

PubChem CID:

50737791

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-201.78

Dipole, Da:

7.85

IP(EA), eV:

 -8.88(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations