Geometry & MOs

Info

ID:	418571
PubChem CID:	135105822
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-89.61
Dipole, Da:	4.82
IP(EA), eV:	-8.74(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCC(C2)COC

DOS

IR

Vibrations