Geometry & MOs

Info

ID:	28792
PubChem CID:	829685
Reduced:	ClSN4H7C13 (1)
Stoich.:	ABC4D7E13 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	114.0
Dipole, Da:	6.89
IP(EA), eV:	-9.07(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenoxymethyl)-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(C(=S)NC(=C2C#N)N)C#N)Cl

DOS

IR

Vibrations