Geometry & MOs

Info

ID:	374411
PubChem CID:	131328721
Reduced:	ClNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	6.24
IP(EA), eV:	-8.91(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-amino-5-ethyl-1-benzothiophene-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)C3=C(N2)C=C(S3)C(=O)O

DOS

IR

Vibrations