Geometry & MOs

Info

ID:	243586
PubChem CID:	99226964
Reduced:	SN3O5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	444.102289
ΔH_f, kcal/mol:	-159.64
Dipole, Da:	7.04
IP(EA), eV:	-9.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=C(ON=C3C)C)OC

DOS

IR

Vibrations