Geometry & MOs

Info

ID:

107383

PubChem CID:

50201212

Reduced:

O4N5C32H45 (1)

Stoich.:

A4B5C32D45 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-188.41

Dipole, Da:

5.82

IP(EA), eV:

 -8.73(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C)C)C

DOS

IR

Vibrations