Geometry & MOs

Info

ID:	289822
PubChem CID:	104375990
Reduced:	BrClON2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	394.0212
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	2.92
IP(EA), eV:	-9.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CNC(C)C1=C(C=C(C=C1)Br)Cl

DOS

IR

Vibrations