Geometry & MOs

Info

ID:	193292
PubChem CID:	78370969
Reduced:	ClN2O4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	321.9234
ΔH_f, kcal/mol:	-106.7
Dipole, Da:	2.21
IP(EA), eV:	-8.84(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-bromophenyl)-4aH-thieno[3,2-d]pyrimidine-4-thione

Drug info:

PubChemData

Smile

CC1CC2C(CC1Cl)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)OC)C5=CC=CC(=N5)C

DOS

IR

Vibrations