Geometry & MOs

Info

ID:	225295
PubChem CID:	85753422
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	404.213364
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	5.73
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenoxy]heptanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(N=CC=C2)C(=O)NC3CCCC3

DOS

IR

Vibrations