Geometry & MOs

Info

ID:	243127
PubChem CID:	99215813
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	454.063317
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	2.74
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(cyclopropylamino)pyridin-3-yl]-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)[C@H]1CSCN1C(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations