Geometry & MOs

Info

ID:	413757
PubChem CID:	135086707
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	361.113707
ΔH_f, kcal/mol:	-103.63
Dipole, Da:	4.02
IP(EA), eV:	-9.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C#CC(=O)CCC(=O)OC)OCC1=CC=CC=C1

DOS

IR

Vibrations