Geometry & MOs

Info

ID:	374506
PubChem CID:	131330594
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	251.98983
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	1.31
IP(EA), eV:	-8.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-6-bromo-3,4-dihydro-1H-isochromene-8-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C2C(=C1)SC=C2CCl)N

DOS

IR

Vibrations