Geometry & MOs

Info

ID:	30359
PubChem CID:	841191
Reduced:	ClO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	4.02
IP(EA), eV:	-9.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(5-methylthiophen-2-yl)methylideneamino]-2-(2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CCC1=NN([C@](C1)(C2=CN=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations