Geometry & MOs

Info

ID:

111128

PubChem CID:

50352983

Reduced:

ClO5N6C30H37 (1)

Stoich.:

AB5C6D30E37 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-200.67

Dipole, Da:

4.72

IP(EA), eV:

 -8.8(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C(=O)N4CCCC4

DOS

IR

Vibrations