Geometry & MOs

Info

ID:	42316
PubChem CID:	8149428
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-25.32
Dipole, Da:	2.66
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations