Geometry & MOs

Info

ID:	416938
PubChem CID:	135090835
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	5.42
IP(EA), eV:	-9.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(1H-pyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC(=O)NCCC2=CC=CC=C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations