Geometry & MOs

Info

ID:	234870
PubChem CID:	92303632
Reduced:	OS2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	395.189672
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	6.03
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NC1=NN=C(S1)SCC=C)CC(C)(C)C

DOS

IR

Vibrations