Geometry & MOs

Info

ID:	125242
PubChem CID:	50916574
Reduced:	O2S2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	433.134837
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	2.45
IP(EA), eV:	-8.55(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxopropyl]-(2,2,2-trifluoroacetyl)amino]-5-methoxybenzoate

Drug info:

PubChemData

Smile

CCOC(CC1(SCCCS1)CC2=CC=CC=C2)OCC

DOS

IR

Vibrations