Geometry & MOs

Info

ID:	234833
PubChem CID:	92303574
Reduced:	FSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	411.160121
ΔH_f, kcal/mol:	-118.58
Dipole, Da:	7.2
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)CC(C)(C)C)F

DOS

IR

Vibrations