Geometry & MOs

Info

ID:	346827
PubChem CID:	127271331
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	358.147742
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	5.53
IP(EA), eV:	-8.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(1H-1,2,4-triazol-5-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4

DOS

IR

Vibrations