Geometry & MOs

Info

ID:	195874
PubChem CID:	78745134
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	6.22
IP(EA), eV:	-9.58(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-6-(3-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations