Geometry & MOs

Info

ID:	42088
PubChem CID:	8149167
Reduced:	ClOS2N3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	395.085911
ΔH_f, kcal/mol:	39.39
Dipole, Da:	3.24
IP(EA), eV:	-8.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloroanilino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations