Geometry & MOs

Info

ID:	228385
PubChem CID:	87564149
Reduced:	BrNSO2H18C20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	390.03205
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	2.7
IP(EA), eV:	-8.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O)Br

DOS

IR

Vibrations