Geometry & MOs

Info

ID:	45109
PubChem CID:	10508095
Reduced:	F4N4O7C28H38 (1)
Stoich.:	A4B4C7D28E38 (1)
Weight, g/mol:	618.366887
ΔH_f, kcal/mol:	-458.03
Dipole, Da:	31.72
IP(EA), eV:	-8.81(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R,4S,5R,6R)-6-octoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyethanimidamide

Drug info:

PubChemData

Smile

CCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)C(=[N+]3CCOCC3)N)F.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations