Geometry & MOs

Info

ID:	67858
PubChem CID:	46507309
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	275.007471
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	3.81
IP(EA), eV:	-8.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-isothiocyanato-5-phenylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C=NC1=C(NC=C1C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations