Geometry & MOs

Info

ID:	135496
PubChem CID:	51880924
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	462.263091
ΔH_f, kcal/mol:	-43.84
Dipole, Da:	1.45
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(adamantane-1-carbonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)[C@H](C)SC2=NN=C(O2)C3=CC=CC=C3C)C

DOS

IR

Vibrations