Geometry & MOs

Info

ID:	177437
PubChem CID:	76185565
Reduced:	NSO2C22H29 (1)
Stoich.:	ABC2D22E29 (1)
Weight, g/mol:	557.179143
ΔH_f, kcal/mol:	29.66
Dipole, Da:	8.44
IP(EA), eV:	-7.97(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(2-hydroxypropan-2-yl)phenyl]methyl]sulfanylmethyl]pent-4-enoic acid

Drug info:

PubChemData

Smile

CC1CCC2=C(CCC(=CS(=O)C3=CC=CC=C3N(C1=O)C)C2(C)C)C

DOS

IR

Vibrations