Geometry & MOs

Info

ID:	308452
PubChem CID:	125333146
Reduced:	O2N3C9H9 (2)
Stoich.:	A2B3C9D9 (2)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	20.75
Dipole, Da:	6.01
IP(EA), eV:	-9.76(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[(2S)-2-propyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)N2C(=CC(=N2)C)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations