Geometry & MOs

Info

ID:

118727

PubChem CID:

50655658

Reduced:

BrClO4N5C32H41 (1)

Stoich.:

ABC4D5E32F41 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-174.53

Dipole, Da:

5.62

IP(EA), eV:

 -8.89(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations