Geometry & MOs

Info

ID:	117778
PubChem CID:	50615508
Reduced:	Cl2O4N5C25H29 (1)
Stoich.:	A2B4C5D25E29 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	4.49
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations