Geometry & MOs

Info

ID:	197578
PubChem CID:	78978829
Reduced:	NOF2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-102.97
Dipole, Da:	3.96
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[benzyl-[2-(cyanomethylsulfanyl)acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC=CC(=O)NC1=C(C(=CC=C1)F)F

DOS

IR

Vibrations