Geometry & MOs

Info

ID:	14053
PubChem CID:	402921
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	3.65
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-hydroxyphenyl)-1,6-dimethyl-2-sulfanyl-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=NC1C2=CC(=CC=C2)O)S)C)C

DOS

IR

Vibrations