Geometry & MOs

Info

ID:	43171
PubChem CID:	10319008
Reduced:	NS2O5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	403.170292
ΔH_f, kcal/mol:	-247.36
Dipole, Da:	8.37
IP(EA), eV:	-8.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)CS[C@H](C)CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O

DOS

IR

Vibrations