Geometry & MOs

Info

ID:	327082
PubChem CID:	126688969
Reduced:	OCl2F3N5H26C29 (1)
Stoich.:	AB2C3D5E26F29 (1)
Weight, g/mol:	389.041667
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	2.56
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[methoxycarbonyl-(5-methyl-2-oxo-1,3-dioxol-4-yl)amino]ethylsulfanylformate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations