Geometry & MOs

Info

ID:	84056
PubChem CID:	49863920
Reduced:	ClSO2N5C27H32 (1)
Stoich.:	ABC2D5E27F32 (1)
Weight, g/mol:	526.156243
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	11.27
IP(EA), eV:	-8.62(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]propyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(CCNC1=C2C=CC(=CC2=NC=C1)Cl)CCNS(=O)(=O)C3=CC4=C(C=C3)C(=CC=C4)N(C)C

DOS

IR

Vibrations