Geometry & MOs

Info

ID:	321437
PubChem CID:	126666038
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	309.101251
ΔH_f, kcal/mol:	-167.45
Dipole, Da:	3.99
IP(EA), eV:	-10.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[2-acetyloxy-2-(4-fluorophenyl)acetyl]-3-(methylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NNC(=N1)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations