Geometry & MOs

Info

ID:	343853
PubChem CID:	127267029
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	322.12772
ΔH_f, kcal/mol:	-49.19
Dipole, Da:	2.33
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2-methyl-6-oxopiperidin-4-yl)methylamino]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(S2)N3CC(C(C3)C(=O)N)C(=O)N

DOS

IR

Vibrations