Geometry & MOs

Info

ID:	417795
PubChem CID:	135102774
Reduced:	F2N2O3C19H26 (1)
Stoich.:	A2B2C3D19E26 (1)
Weight, g/mol:	331.120192
ΔH_f, kcal/mol:	-227.37
Dipole, Da:	0.64
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)CCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations