Geometry & MOs

Info

ID:	219864
PubChem CID:	85164981
Reduced:	S4O5N9C21H23 (1)
Stoich.:	A4B5C9D21E23 (1)
Weight, g/mol:	609.309038
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	10.27
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-(1-phenylethylamino)propanoic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)[O-])SC4=C(C=NC=C4)CSCC[NH+]=C(N)N

DOS

IR

Vibrations