Geometry & MOs

Info

ID:	234019
PubChem CID:	92297546
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	260.061949
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	5.35
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2C(=C(C(=O)NC2=S)C3=CC=CC=C3)O1

DOS

IR

Vibrations