Geometry & MOs

Info

ID:	206321
PubChem CID:	80230960
Reduced:	ClOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	343.97496
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	4.15
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-tert-butyl-6-chloro-2-(4-methylthiophen-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC(=O)C2=C(C=CC(=N2)NCC)Cl

DOS

IR

Vibrations