Geometry & MOs

Info

ID:	63354
PubChem CID:	26758135
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	434.074799
ΔH_f, kcal/mol:	-39.26
Dipole, Da:	5.87
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

DOS

IR

Vibrations