Geometry & MOs

Info

ID:	375101
PubChem CID:	131465939
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	347.93171
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	4.21
IP(EA), eV:	-9.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-iodo-6-methoxy-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1)C(C)C(=O)O)C)C#N

DOS

IR

Vibrations