Geometry & MOs

Info

ID:	230132
PubChem CID:	87570278
Reduced:	NO2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	523.202859
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	3.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755092
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-[4-[3-[ethyl-(2-methoxyphenoxy)amino]-2-hydroxypropoxy]phenyl]-3-(4-methylsulfanylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC([N+](C)(C)CC)OC(=O)C=C

DOS

IR

Vibrations