Geometry & MOs

Info

ID:

106034

PubChem CID:

50147099

Reduced:

ClO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-141.86

Dipole, Da:

5.27

IP(EA), eV:

 -8.55(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)Cl)C

DOS

IR

Vibrations