Geometry & MOs

Info

ID:	35288
PubChem CID:	7979633
Reduced:	S2N3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	11.44
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations