Geometry & MOs

Info

ID:	33634
PubChem CID:	7887293
Reduced:	NOSC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	405.03408
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	1.65
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-amino-3-(1-benzothiophene-2-carbonyloxymethyl)thiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C1=CC=CC=C1)SC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations