Geometry & MOs

Info

ID:	29003
PubChem CID:	831082
Reduced:	ClNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	6.83
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,6-trimethyl-3-[(4-nitrophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations