Geometry & MOs

Info

ID:	207253
PubChem CID:	80367594
Reduced:	NO6C11H19 (1)
Stoich.:	AB6C11D19 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-280.77
Dipole, Da:	4.36
IP(EA), eV:	-9.94(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-sulfanylidenepropyl)-4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N[C@@H](CC(=O)OC)C(=O)O)COC

DOS

IR

Vibrations