Geometry & MOs

Info

ID:	206668
PubChem CID:	80279460
Reduced:	ClSN3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	312.03611
ΔH_f, kcal/mol:	71.9
Dipole, Da:	2.49
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-ethoxyphenyl)-(2-methyloxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CNC1=NC=CN=C1C2=CC=C(S2)Cl

DOS

IR

Vibrations