Geometry & MOs

Info

ID:	74428
PubChem CID:	48421860
Reduced:	ClNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-53.51
Dipole, Da:	2.68
IP(EA), eV:	-9.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=C(S1)Cl)OCC2CC2

DOS

IR

Vibrations