Geometry & MOs

Info

ID:

105830

PubChem CID:

50139695

Reduced:

O4N5C36H51 (1)

Stoich.:

A4B5C36D51 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-189.96

Dipole, Da:

8.52

IP(EA), eV:

 -8.58(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations