Geometry & MOs

Info

ID:	79378
PubChem CID:	49748356
Reduced:	SN3O5C27H27 (1)
Stoich.:	AB3C5D27E27 (1)
Weight, g/mol:	518.162391
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	1.55
IP(EA), eV:	-8.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=CC=C5)C=C3

DOS

IR

Vibrations