Geometry & MOs

Info

ID:	369534
PubChem CID:	127334315
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-73.99
Dipole, Da:	2.66
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(2-propan-2-ylindazol-5-yl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CSC=N2)NC(=O)N3CCCC3

DOS

IR

Vibrations