Geometry & MOs

Info

ID:	88749
PubChem CID:	49956509
Reduced:	SN2O5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	491.10436
ΔH_f, kcal/mol:	-114.82
Dipole, Da:	3.86
IP(EA), eV:	-8.74(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate;chloride

Drug info:

PubChemData

Smile

CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)/C(=C\C5=C(C(=CC=C5)OC)O)/S4)C

DOS

IR

Vibrations