Geometry & MOs

Info

ID:	42084
PubChem CID:	8149161
Reduced:	ClSN3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	401.015639
ΔH_f, kcal/mol:	-124.3
Dipole, Da:	3.11
IP(EA), eV:	-9.14(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)Cl)C(=O)OCCOC

DOS

IR

Vibrations