Geometry & MOs

Info

ID:	420940
PubChem CID:	135115071
Reduced:	SO3N6C12H18 (1)
Stoich.:	AB3C6D12E18 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	7.05
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-1H-pyrazol-5-yl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC=NC3=C2NC=N3

DOS

IR

Vibrations