Geometry & MOs

Info

ID:	340411
PubChem CID:	127262422
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	54.0
Dipole, Da:	6.29
IP(EA), eV:	-9.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-N-(diethylcarbamothioyl)benzenecarboximidate

Drug info:

PubChemData

Smile

CCSC(=NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations