Geometry & MOs

Info

ID:	143319
PubChem CID:	53187900
Reduced:	SN2O4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-137.88
Dipole, Da:	6.18
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNC(=O)C2CCC3=C(C2)C=C(S3)C(=O)N4CCOCC4

DOS

IR

Vibrations