Geometry & MOs

Info

ID:	405721
PubChem CID:	135075158
Reduced:	ON2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	476.350175
ΔH_f, kcal/mol:	39.81
Dipole, Da:	5.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824407
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(1-ethoxyethoxymethyl)-3-[2-[(2R,3R)-3-(3-octoxy-4-phenylbutyl)oxiran-2-yl]ethyl]oxirane

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N=[N-]

DOS

IR

Vibrations