Geometry & MOs

Info

ID:	387385
PubChem CID:	134985187
Reduced:	ClN3H11C12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	623.324688
ΔH_f, kcal/mol:	133.26
Dipole, Da:	8.75
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC(CN(CC1=CC=CC=C1)N=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)Cl

DOS

IR

Vibrations