Geometry & MOs

Info

ID:	46974
PubChem CID:	10528724
Reduced:	O8C27H28 (1)
Stoich.:	A8B27C28 (1)
Weight, g/mol:	480.204907
ΔH_f, kcal/mol:	-257.5
Dipole, Da:	7.39
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-hydroxy-1-phenylethyl]-2-[2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C(C(=O)OC)O)OCC(=O)O

DOS

IR

Vibrations