Geometry & MOs

Info

ID:

105069

PubChem CID:

50106301

Reduced:

ClO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-122.49

Dipole, Da:

2.31

IP(EA), eV:

 -8.81(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations