Geometry & MOs

Info

ID:	173104
PubChem CID:	75597363
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	402.219495
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	2.59
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)hept-6-en-3-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CSCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)N

DOS

IR

Vibrations