Geometry & MOs

Info

ID:

95943

PubChem CID:

50017132

Reduced:

FO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

631.292532

ΔHf, kcal/mol:

-224.16

Dipole, Da:

5.69

IP(EA), eV:

 -8.78(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylbenzoyl)amino]phenyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4

DOS

IR

Vibrations