Geometry & MOs

Info

ID:	396838
PubChem CID:	135029301
Reduced:	ClNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	364.97213
ΔH_f, kcal/mol:	-15.34
Dipole, Da:	5.23
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-nitro-3,4-dihydro-2H-thiochromen-4-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(C(S2)C3=CC=C(C=C3)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations