Geometry & MOs

Info

ID:	414407
PubChem CID:	135087365
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-229.07
Dipole, Da:	5.14
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O)C)C

DOS

IR

Vibrations