Geometry & MOs

Info

ID:	214246
PubChem CID:	84974779
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	409.167142
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	7.83
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

DOS

IR

Vibrations