Geometry & MOs

Info

ID:	155299
PubChem CID:	56352885
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	488.172956
ΔH_f, kcal/mol:	-169.21
Dipole, Da:	2.34
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[3-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]phenyl]sulfonylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2(CC2)C3=CC=CC=C3

DOS

IR

Vibrations