Geometry & MOs

Info

ID:	93906
PubChem CID:	49997621
Reduced:	O4N5C28H37 (1)
Stoich.:	A4B5C28D37 (1)
Weight, g/mol:	583.292532
ΔH_f, kcal/mol:	-169.42
Dipole, Da:	8.03
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations