Geometry & MOs

Info

ID:	69259
PubChem CID:	46530539
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	478.191738
ΔH_f, kcal/mol:	-154.06
Dipole, Da:	4.69
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations