Geometry & MOs

Info

ID:

105833

PubChem CID:

50139704

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-188.64

Dipole, Da:

4.49

IP(EA), eV:

 -8.84(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4CCCCC4

DOS

IR

Vibrations