Geometry & MOs

Info

ID:	381185
PubChem CID:	134971840
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	287.098
ΔH_f, kcal/mol:	-75.72
Dipole, Da:	1.85
IP(EA), eV:	-8.06(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-anilino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

DOS

IR

Vibrations