Geometry & MOs

Info

ID:	37450
PubChem CID:	8021189
Reduced:	ClN2O5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	417.104622
ΔH_f, kcal/mol:	-222.13
Dipole, Da:	6.61
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations