Geometry & MOs

Info

ID:	232149
PubChem CID:	87575604
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	133.01975
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	1.12
IP(EA), eV:	-10.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetonitrile;2-sulfanylacetic acid

Drug info:

PubChemData

Smile

C/C(=C\C(=O)C1=CC=CC=C1)/C(=O)N

DOS

IR

Vibrations