Geometry & MOs

Info

ID:	125823
PubChem CID:	50940642
Reduced:	SP2C6H14O15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	377.06266
ΔH_f, kcal/mol:	-782.27
Dipole, Da:	6.7
IP(EA), eV:	-11.08(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-5-acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OS(=O)(=O)O)OP(=O)(O)O)O)O

DOS

IR

Vibrations