Geometry & MOs

Info

ID:	171566
PubChem CID:	75394556
Reduced:	S2N3O3C17H27 (1)
Stoich.:	A2B3C3D17E27 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-129.5
Dipole, Da:	3.64
IP(EA), eV:	-8.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-methylpropylsulfanyl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)OC)C)CNC(=O)CCCCC2CCSS2

DOS

IR

Vibrations