Geometry & MOs

Info

ID:	94811
PubChem CID:	50004010
Reduced:	Cl2O3N4C27H34 (1)
Stoich.:	A2B3C4D27E34 (1)
Weight, g/mol:	575.347155
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	7.28
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations