Geometry & MOs

Info

ID:

103794

PubChem CID:

50073209

Reduced:

ClO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-149.38

Dipole, Da:

3.73

IP(EA), eV:

 -8.76(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations