Geometry & MOs

Info

ID:	22244
PubChem CID:	596386
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	6.82
IP(EA), eV:	-9.35(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-2-thiocyanatoprop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C(C(=O)O)SC#N

DOS

IR

Vibrations