Geometry & MOs

Info

ID:	151079
PubChem CID:	53790776
Reduced:	S2N3O9H23C24 (1)
Stoich.:	A2B3C9D23E24 (1)
Weight, g/mol:	321.076786
ΔH_f, kcal/mol:	-287.84
Dipole, Da:	2.12
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chloroanilino)-2-hydroxypropoxy]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)NC(=O)OCC2=C(N3[C@H](C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

DOS

IR

Vibrations