Geometry & MOs

Info

ID:	220538
PubChem CID:	85197682
Reduced:	NF2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	325.132551
ΔH_f, kcal/mol:	-234.27
Dipole, Da:	6.32
IP(EA), eV:	-9.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC#CC1=C(C=C(C=C1)F)F)C(=O)O

DOS

IR

Vibrations