Geometry & MOs

Info

ID:

107384

PubChem CID:

50201213

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-171.41

Dipole, Da:

9.86

IP(EA), eV:

 -9.03(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)C

DOS

IR

Vibrations