Geometry & MOs

Info

ID:	441127
PubChem CID:	135233234
Reduced:	ClF3O3N5H29C30 (1)
Stoich.:	AB3C3D5E29F30 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-166.23
Dipole, Da:	7.67
IP(EA), eV:	-9.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-[(E)-5-(methylamino)pent-4-enyl]-3-(2-methylpropanoyl)pyran-2-one

Drug info:

PubChemData

Smile

CC(/C=C\C=C/CCl)[C@@H](C(=O)NC1CC(C1)(F)F)N(C2=CC=CC=C2F)C(=O)[C@@H]3CCC(=O)N3C4=NC=CC(=C4)C#N

DOS

IR

Vibrations