Geometry & MOs

Info

ID:	62109
PubChem CID:	26717596
Reduced:	SO2Cl3N3H14C18 (1)
Stoich.:	AB2C3D3E14F18 (1)
Weight, g/mol:	497.094283
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	1.36
IP(EA), eV:	-9.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations