Geometry & MOs

Info

ID:	414916
PubChem CID:	135087888
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	356.151826
ΔH_f, kcal/mol:	-165.87
Dipole, Da:	12.44
IP(EA), eV:	-9.0(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC3=C(C=C(C=C3)OC(C)C)OC2=O

DOS

IR

Vibrations