Geometry & MOs

Info

ID:	359481
PubChem CID:	127298755
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	335.177982
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	3.28
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)CCN2C(=O)N3C=CC=CC3=N2)C(=O)N4CCSCC4

DOS

IR

Vibrations