Geometry & MOs

Info

ID:	328527
PubChem CID:	126724189
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	460.199822
ΔH_f, kcal/mol:	-191.32
Dipole, Da:	4.48
IP(EA), eV:	-9.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N3CC[C@H](C3)C(=O)O)C(=O)O

DOS

IR

Vibrations