Geometry & MOs

Info

ID:	360390
PubChem CID:	127301035
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	8.07
IP(EA), eV:	-9.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(thiomorpholin-4-ylmethyl)phenyl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCCC(C2)N3C=NC=N3)C

DOS

IR

Vibrations