Geometry & MOs

Info

ID:	35158
PubChem CID:	7979399
Reduced:	NO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	407.097349
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.117676
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC=C)C[NH2+]CCCCO

DOS

IR

Vibrations