Geometry & MOs

Info

ID:	235045
PubChem CID:	92303943
Reduced:	ClOS2N3C18H24 (1)
Stoich.:	ABC2D3E18F24 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-7.55
Dipole, Da:	5.37
IP(EA), eV:	-8.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)Cl)CC(C)(C)C

DOS

IR

Vibrations