Geometry & MOs

Info

ID:	183619
PubChem CID:	77045747
Reduced:	FON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-8.58
Dipole, Da:	6.42
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN(C)C(=O)C=CC2=CC(=CC=C2)F

DOS

IR

Vibrations