Geometry & MOs

Info

ID:	216313
PubChem CID:	85086034
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-10.18
Dipole, Da:	4.42
IP(EA), eV:	-9.1(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetyl-4-aminophenyl)-2-amino-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(C#N)C2=CC=CC=C2)O

DOS

IR

Vibrations