Geometry & MOs

Info

ID:	149206
PubChem CID:	53788878
Reduced:	SN3O5H13C18 (1)
Stoich.:	AB3C5D13E18 (1)
Weight, g/mol:	565.319209
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	9.16
IP(EA), eV:	-9.39(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[1-[4-(cyclohexylmethyl)phenyl]pentoxy]benzoyl]indol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=CC=CS1)C2=NC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O2

DOS

IR

Vibrations