Geometry & MOs

Info

ID:	135750
PubChem CID:	51927777
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	7.57
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[[methyl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](CNC2=C(C(=CC=C2)F)C#N)N3CCOCC3

DOS

IR

Vibrations