Geometry & MOs

Info

ID:	419501
PubChem CID:	135108291
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-194.45
Dipole, Da:	9.29
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2CCCCC2=C(C=C1)S(=O)(=O)N3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations