Geometry & MOs

Info

ID:

117699

PubChem CID:

50611951

Reduced:

ClO4N5C34H48 (1)

Stoich.:

AB4C5D34E48 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-192.89

Dipole, Da:

4.33

IP(EA), eV:

 -9.03(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(CC)CC)C

DOS

IR

Vibrations