Geometry & MOs

Info

ID:	235084
PubChem CID:	92304010
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	387.103749
ΔH_f, kcal/mol:	-31.39
Dipole, Da:	3.97
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)[C@@H]3N(C(=O)CS3)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations