Geometry & MOs

Info

ID:	417050
PubChem CID:	135091228
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	358.167477
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	1.83
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CC[C@@H]([C@@](C3)(CC4CC4)C(=O)O)O)C

DOS

IR

Vibrations