Geometry & MOs

Info

ID:	29304
PubChem CID:	832870
Reduced:	N3O5H11C14 (1)
Stoich.:	A3B5C11D14 (1)
Weight, g/mol:	339.067762
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	5.64
IP(EA), eV:	-9.4(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC(=O)C2=CC(=O)C(=O)C=C2)N(O)O

DOS

IR

Vibrations