Geometry & MOs

Info

ID:	55513
PubChem CID:	17395489
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	5.58
IP(EA), eV:	-9.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2C#N)C3=CC=CO3

DOS

IR

Vibrations