Geometry & MOs

Info

ID:	230044
PubChem CID:	87569938
Reduced:	SN2O9C19H26 (1)
Stoich.:	AB2C9D19E26 (1)
Weight, g/mol:	497.187209
ΔH_f, kcal/mol:	-358.19
Dipole, Da:	5.0
IP(EA), eV:	-10.91(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-[4-[2-hydroxy-3-[(2-methoxy-2-phenoxyethyl)amino]propoxy]phenyl]-3-(5-methylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)OC1(C(C(=O)NC1=O)N2C(=O)C=CC2=O)S(=O)(=O)O

DOS

IR

Vibrations