Geometry & MOs

Info

ID:	58680
PubChem CID:	24712468
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	322.144806
ΔH_f, kcal/mol:	-33.09
Dipole, Da:	3.76
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-prop-2-enylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NC(=CS2)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations