Geometry & MOs

Info

ID:	381181
PubChem CID:	134971834
Reduced:	NSO2C4H10 (1)
Stoich.:	ABC2D4E10 (1)
Weight, g/mol:	357.096085
ΔH_f, kcal/mol:	-104.68
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752389
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(phenylmethoxycarbonylaminomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H](C[SH2+])N

DOS

IR

Vibrations