Geometry & MOs

Info

ID:	416027
PubChem CID:	135089032
Reduced:	OF2N2C19H28 (1)
Stoich.:	AB2C2D19E28 (1)
Weight, g/mol:	393.135842
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	0.59
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=C(C=C(C=C3F)OC)F

DOS

IR

Vibrations