Geometry & MOs

Info

ID:	30645
PubChem CID:	841615
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-73.97
Dipole, Da:	2.39
IP(EA), eV:	-8.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)N

DOS

IR

Vibrations