Geometry & MOs

Info

ID:	58585
PubChem CID:	24707909
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	224.061949
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	1.98
IP(EA), eV:	-9.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC=CS2)C(=O)O

DOS

IR

Vibrations