Geometry & MOs

Info

ID:	27944
PubChem CID:	824235
Reduced:	N3O4H15C17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	16.8
Dipole, Da:	1.31
IP(EA), eV:	-9.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H]1C(=O)N=NC(=O)C2=CC=CC=C2N(O)O)C3=CC=CC=C3

DOS

IR

Vibrations