Geometry & MOs

Info

ID:	402439
PubChem CID:	135055962
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	344.02733
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	6.23
IP(EA), eV:	-9.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(iodomethyl)-4,4-dimethyl-6-phenyloxan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]([C@H](C)[N+](=O)[O-])NC(=O)OC(C)(C)C

DOS

IR

Vibrations