Geometry & MOs

Info

ID:	359497
PubChem CID:	127298771
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-50.86
Dipole, Da:	4.79
IP(EA), eV:	-8.92(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC(C2CC2)C3=CC=CC=C3)C(=O)N4CCSCC4

DOS

IR

Vibrations