Geometry & MOs

Info

ID:	373460
PubChem CID:	131315645
Reduced:	NSO3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	217.092521
ΔH_f, kcal/mol:	-79.86
Dipole, Da:	6.01
IP(EA), eV:	-9.5(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1-benzothiophen-3-yl)-3-methylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CCC1=C(SC2=NC(=O)CC=C12)C(=O)O

DOS

IR

Vibrations