Geometry & MOs

Info

ID:	148665
PubChem CID:	53788333
Reduced:	SO6C23H38 (1)
Stoich.:	AB6C23D38 (1)
Weight, g/mol:	537.254895
ΔH_f, kcal/mol:	-275.09
Dipole, Da:	10.12
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-[3-[[(2R)-2-hydroxy-3-phenoxypropyl]-[2-(2-hydroxyphenyl)ethyl]amino]butyl]thiophen-2-yl]but-2-enoate

Drug info:

PubChemData

Smile

CS(=O)CC(=O)C(CCCCC=C[C@@H]1CCC[C@@]1(CCCCC=CC(=O)O)O)CO

DOS

IR

Vibrations