Geometry & MOs

Info

ID:	63204
PubChem CID:	26750110
Reduced:	SN2Cl3O5C18H19 (1)
Stoich.:	AB2C3D5E18F19 (1)
Weight, g/mol:	474.139548
ΔH_f, kcal/mol:	-178.13
Dipole, Da:	6.67
IP(EA), eV:	-9.55(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

C[C@H](COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations