Geometry & MOs

Info

ID:

117529

PubChem CID:

50606130

Reduced:

ClN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

637.22226

ΔHf, kcal/mol:

-181.15

Dipole, Da:

6.63

IP(EA), eV:

 -8.28(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations