Geometry & MOs

Info

ID:	37235
PubChem CID:	8018611
Reduced:	SN3O3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	4.19
IP(EA), eV:	-8.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations