Geometry & MOs

Info

ID:	149386
PubChem CID:	53789058
Reduced:	PC5O6H9 (1)
Stoich.:	AB5C6D9 (1)
Weight, g/mol:	580.278466
ΔH_f, kcal/mol:	-312.53
Dipole, Da:	0.53
IP(EA), eV:	-10.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-[5-ethoxy-2-[4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]but-2-enoxy]phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](OP(=O)(O1)O)CC=O)O

DOS

IR

Vibrations