Geometry & MOs

Info

ID:	36734
PubChem CID:	8012006
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-210.38
Dipole, Da:	2.01
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations