Geometry & MOs

Info

ID:	182575
PubChem CID:	76908504
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	308.028935
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	8.44
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxy-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)C=CC(=O)O)OC)C2CC2

DOS

IR

Vibrations