Geometry & MOs

Info

ID:	64548
PubChem CID:	29202818
Reduced:	ClOSN2H17C22 (1)
Stoich.:	ABCD2E17F22 (1)
Weight, g/mol:	323.111735
ΔH_f, kcal/mol:	76.26
Dipole, Da:	5.26
IP(EA), eV:	-9.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(O2)S[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations