Geometry & MOs

Info

ID:	312432
PubChem CID:	126604835
Reduced:	ON2S3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	315.075157
ΔH_f, kcal/mol:	36.45
Dipole, Da:	5.08
IP(EA), eV:	-8.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-methanimidoyl-3-methyl-4,5-dihydro-2-benzothiophen-1-yl)oxy]cyclohepta-1,4,6-triene-1-thiol

Drug info:

PubChemData

Smile

CC1C=C2CCC(=C(C2=C(S1)OC3=C(N=CC=C3)C)SN)S

DOS

IR

Vibrations