Geometry & MOs

Info

ID:	31540
PubChem CID:	855846
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	334.99795
ΔH_f, kcal/mol:	3.21
Dipole, Da:	5.5
IP(EA), eV:	-8.52(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=NC(=NN3)SC(C)(C)C(=O)OC)N=C2C(=C1)C

DOS

IR

Vibrations