Geometry & MOs

Info

ID:	138687
PubChem CID:	52408451
Reduced:	SN2O4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	406.093164
ΔH_f, kcal/mol:	-134.62
Dipole, Da:	2.98
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(C)CCCOC2=CC=CC=C2C

DOS

IR

Vibrations