Geometry & MOs

Info

ID:	24779
PubChem CID:	613375
Reduced:	NSO4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	251.025229
ΔH_f, kcal/mol:	-101.9
Dipole, Da:	2.64
IP(EA), eV:	-9.21(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)N=C=S)C(=O)OC

DOS

IR

Vibrations