Geometry & MOs

Info

ID:	268506
PubChem CID:	103599674
Reduced:	SO3N4C21H34 (1)
Stoich.:	AB3C4D21E34 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-95.67
Dipole, Da:	4.66
IP(EA), eV:	-8.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC(C)CNC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations