Geometry & MOs

Info

ID:	195895
PubChem CID:	78745790
Reduced:	FN2O5H15C20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	2.53
IP(EA), eV:	-9.38(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(cyanomethoxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(ON=C1COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

DOS

IR

Vibrations