Geometry & MOs

Info

ID:	419259
PubChem CID:	135107834
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	-15.48
Dipole, Da:	6.15
IP(EA), eV:	-9.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations