Geometry & MOs

Info

ID:	168627
PubChem CID:	74997162
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	407.155515
ΔH_f, kcal/mol:	-164.18
Dipole, Da:	5.89
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-2-phenyl-4-(3-phenylpropyl)thiazetidine 1,1-dioxide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC(=O)NCC(CC2=CC=CC=C2)C=CC(=O)OC)O

DOS

IR

Vibrations