Geometry & MOs

Info

ID:	175224
PubChem CID:	75869757
Reduced:	BrOSN2C19H19 (1)
Stoich.:	ABCD2E19F19 (1)
Weight, g/mol:	374.078183
ΔH_f, kcal/mol:	25.79
Dipole, Da:	1.97
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC#N)C(=O)C(C)SC2=CC=C(C=C2)Br

DOS

IR

Vibrations