Geometry & MOs

Info

ID:

118469

PubChem CID:

50643778

Reduced:

ClN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

694.243724

ΔHf, kcal/mol:

-221.7

Dipole, Da:

7.96

IP(EA), eV:

 -8.54(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-chlorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations