Geometry & MOs

Info

ID:	184891
PubChem CID:	77224879
Reduced:	O2N6C33H38 (1)
Stoich.:	A2B6C33D38 (1)
Weight, g/mol:	465.145534
ΔH_f, kcal/mol:	6.81
Dipole, Da:	1.52
IP(EA), eV:	-9.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]pent-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=C(C=C2)C3C(CC4C(N3)CCC5N4C(=O)NN5)C6=CC=CC=C6)NC(=O)CCC7=CN=CC=C7

DOS

IR

Vibrations