Geometry & MOs

Info

ID:	384207
PubChem CID:	134976525
Reduced:	ClPN2O5C31H38 (1)
Stoich.:	ABC2D5E31F38 (1)
Weight, g/mol:	524.141736
ΔH_f, kcal/mol:	-204.47
Dipole, Da:	6.12
IP(EA), eV:	-9.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)OCCP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)Cl

DOS

IR

Vibrations