Geometry & MOs

Info

ID:	234773
PubChem CID:	92303467
Reduced:	O2N3C27H35 (1)
Stoich.:	A2B3C27D35 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-52.16
Dipole, Da:	6.34
IP(EA), eV:	-8.08(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@@H](CC(=O)NCCN3CCCCC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations