Geometry & MOs

Info

ID:	291485
PubChem CID:	112768646
Reduced:	ClNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	6.04
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-methyl-2-[2-(1-pyridin-2-ylethylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C(=O)NC(C)C2=CC=CC3=CC=CC=C32)Cl)O

DOS

IR

Vibrations