Geometry & MOs

Info

ID:	193296
PubChem CID:	78372962
Reduced:	SN3O4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	375.065318
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	2.65
IP(EA), eV:	-9.27(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3C(=NC(=NC3=O)C)S2)C

DOS

IR

Vibrations