Geometry & MOs

Info

ID:	385107
PubChem CID:	134978328
Reduced:	BrPN2O2C26H28 (1)
Stoich.:	ABC2D2E26F28 (1)
Weight, g/mol:	520.166808
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	6.01
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,6S)-6-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CP(CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations