Geometry & MOs

Info

ID:	42480
PubChem CID:	8149605
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	11.2
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(O2)NC[C@@H]3CCCO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations