Geometry & MOs

Info

ID:

103927

PubChem CID:

50085867

Reduced:

ClO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

575.229932

ΔHf, kcal/mol:

-147.25

Dipole, Da:

9.34

IP(EA), eV:

 -8.44(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-4-chlorophenyl)-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations