Geometry & MOs

Info

ID:

112060

PubChem CID:

50393365

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-203.93

Dipole, Da:

6.82

IP(EA), eV:

 -8.79(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations