Geometry & MOs

Info

ID:

116115

PubChem CID:

50547905

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-205.96

Dipole, Da:

8.46

IP(EA), eV:

 -8.99(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations