Geometry & MOs

Info

ID:	13286
PubChem CID:	224935
Reduced:	SN2O3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	240.056863
ΔH_f, kcal/mol:	-104.73
Dipole, Da:	6.31
IP(EA), eV:	-8.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-(2-methoxyanilino)-2-oxoethyl] carbamothioate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CSC(=O)N

DOS

IR

Vibrations