Geometry & MOs

Info

ID:	427877
PubChem CID:	135164861
Reduced:	SCl2N3O3C22H27 (1)
Stoich.:	AB2C3D3E22F27 (1)
Weight, g/mol:	477.08187
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	5.97
IP(EA), eV:	-9.05(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(azetidin-3-ylmethylamino)methyl]-N-[(2-bromo-4-chlorophenyl)methyl]-5-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)CNS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)CNCC3CCNC3

DOS

IR

Vibrations