Geometry & MOs

Info

ID:	437376
PubChem CID:	135226185
Reduced:	ClFO3N7H25C30 (1)
Stoich.:	ABC3D7E25F30 (1)
Weight, g/mol:	198.052823
ΔH_f, kcal/mol:	-14.42
Dipole, Da:	2.95
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R)-4-oxocyclopent-2-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=N1)N(N=C2C(=O)C)CC(=O)N3[C@@H](C[C@@H]4C3C4)C(=O)NC5=CC=CC(=C5F)C6=C(C7=C(C=C6)NC=N7)Cl

DOS

IR

Vibrations