Geometry & MOs

Info

ID:

108984

PubChem CID:

50267108

Reduced:

O4N5C33H39 (1)

Stoich.:

A4B5C33D39 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-130.35

Dipole, Da:

10.91

IP(EA), eV:

 -8.65(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations