Geometry & MOs

Info

ID:

107715

PubChem CID:

50216149

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-180.58

Dipole, Da:

6.04

IP(EA), eV:

 -9.07(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-chloro-4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl)C

DOS

IR

Vibrations