Geometry & MOs

Info

ID:

108881

PubChem CID:

50262968

Reduced:

ClO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

637.245582

ΔHf, kcal/mol:

-112.57

Dipole, Da:

10.26

IP(EA), eV:

 -8.54(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-chlorophenyl)-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)Cl

DOS

IR

Vibrations