Geometry & MOs

Info

ID:	20588
PubChem CID:	584713
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-6.8
Dipole, Da:	2.48
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=NCC2=CC3=C(C=C2)OCO3)S

DOS

IR

Vibrations