Geometry & MOs

Info

ID:	26896
PubChem CID:	803763
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-69.09
Dipole, Da:	3.6
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@H]2C(=C(NC(=S)N2)C)C(=O)OC

DOS

IR

Vibrations