Geometry & MOs

Info

ID:	133837
PubChem CID:	51598567
Reduced:	FN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	427.120192
ΔH_f, kcal/mol:	-115.13
Dipole, Da:	8.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.070715
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[NH+](C)CC1=C(C=CC(=C1)CN[C@@H]2CCC(=O)N[C@H]2C3=C(C=CC(=C3)OC)F)O

DOS

IR

Vibrations