Geometry & MOs

Info

ID:	195151
PubChem CID:	78644541
Reduced:	FN3O4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	411.031864
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	7.4
IP(EA), eV:	-8.91(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-chloro-2-(4-imidazol-1-ylphenyl)ethenyl]-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=C(N=C(C=C2)C)[N+](=O)[O-])F

DOS

IR

Vibrations