Geometry & MOs

Info

ID:	423672
PubChem CID:	135119968
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	350.081554
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	5.68
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=CC=C(C=C4)CCN)OCC2

DOS

IR

Vibrations