Geometry & MOs

Info

ID:	63408
PubChem CID:	26758262
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	418.097643
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	5.69
IP(EA), eV:	-8.61(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations