Geometry & MOs

Info

ID:	34028
PubChem CID:	7889478
Reduced:	BrN2S2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	352.015176
ΔH_f, kcal/mol:	87.81
Dipole, Da:	3.16
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethoxy)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=NC=NC3=C2C=CS3)Br

DOS

IR

Vibrations