Geometry & MOs

Info

ID:	414712
PubChem CID:	135087671
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	-88.87
Dipole, Da:	6.38
IP(EA), eV:	-8.89(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4[C@@H]5[C@H]4[C@H]6CC[C@@H]5C6)OCC2

DOS

IR

Vibrations