Geometry & MOs

Info

ID:	59437
PubChem CID:	24867569
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	475.160657
ΔH_f, kcal/mol:	-96.25
Dipole, Da:	4.37
IP(EA), eV:	-8.5(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S,6R)-6-[(2-methoxycarbonylphenyl)methyl]-3-methyl-2-phenyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydropyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H](C(C1=CC=CC=C1)N2CCOCC2)N3CCOCC3

DOS

IR

Vibrations