Geometry & MOs

Info

ID:	221695
PubChem CID:	85285995
Reduced:	SN2O5C34H48 (1)
Stoich.:	AB2C5D34E48 (1)
Weight, g/mol:	597.324294
ΔH_f, kcal/mol:	-243.06
Dipole, Da:	1.43
IP(EA), eV:	-8.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methoxyphenyl)-1-phenylmethoxy-2-(tritylamino)oct-4-en-3-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)C(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)OC

DOS

IR

Vibrations