Geometry & MOs

Info

ID:

95779

PubChem CID:

50014349

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-145.29

Dipole, Da:

10.78

IP(EA), eV:

 -8.8(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations