Geometry & MOs

Info

ID:	378347
PubChem CID:	134224425
Reduced:	PN4O9C22H27 (1)
Stoich.:	AB4C9D22E27 (1)
Weight, g/mol:	309.92575
ΔH_f, kcal/mol:	-365.87
Dipole, Da:	4.12
IP(EA), eV:	-9.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)methyl 2-iodoacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC#C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)O)O)OC3=CC=CC=C3

DOS

IR

Vibrations