Geometry & MOs

Info

ID:	58885
PubChem CID:	24715035
Reduced:	FNO4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-158.87
Dipole, Da:	2.0
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-aminophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COCCCN(CC1=CC=C(C=C1)F)CC2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations