Geometry & MOs

Info

ID:	364325
PubChem CID:	127315424
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	10.99
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)C3=NN=CN3C

DOS

IR

Vibrations