Geometry & MOs

Info

ID:	391140
PubChem CID:	135003066
Reduced:	N5H13C18 (1)
Stoich.:	A5B13C18 (1)
Weight, g/mol:	667.350903
ΔH_f, kcal/mol:	152.2
Dipole, Da:	4.31
IP(EA), eV:	-8.7(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-[(3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-[(4-methoxyphenyl)methylamino]methyl]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC2=NC(=C(N2C=C1)/N=C/C3=CN=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations