Geometry & MOs

Info

ID:	195878
PubChem CID:	78745646
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-89.84
Dipole, Da:	5.99
IP(EA), eV:	-8.9(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-methyl-2-sulfanylidene-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations