Geometry & MOs

Info

ID:	230262
PubChem CID:	87570540
Reduced:	Cl2S2O3N4C22H32 (1)
Stoich.:	A2B2C3D4E22F32 (1)
Weight, g/mol:	523.202859
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	3.99
IP(EA), eV:	-8.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-[4-[2-hydroxy-3-[1-(2-methoxyphenoxy)ethylamino]propoxy]phenyl]-3-(4-methylsulfanylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)NS(=O)(=O)CC3(CSC=C3)C)Cl)Cl

DOS

IR

Vibrations