Geometry & MOs

Info

ID:	434042
PubChem CID:	135174195
Reduced:	SN3O3C25H35 (1)
Stoich.:	AB3C3D25E35 (1)
Weight, g/mol:	517.07678
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	5.05
IP(EA), eV:	-8.99(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)CNCC3CNC3)OCC=C

DOS

IR

Vibrations