Geometry & MOs

Info

ID:	171678
PubChem CID:	75412931
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	4.18
IP(EA), eV:	-9.67(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1CCC(CC1)C(=O)NCC

DOS

IR

Vibrations