Geometry & MOs

Info

ID:	41971
PubChem CID:	8147984
Reduced:	OSN3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	373.069654
ΔH_f, kcal/mol:	41.86
Dipole, Da:	6.01
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations