Geometry & MOs

Info

ID:	417441
PubChem CID:	135094049
Reduced:	ON4C17H30 (1)
Stoich.:	AB4C17D30 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	4.42
IP(EA), eV:	-8.65(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1)C)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations