Geometry & MOs

Info

ID:	244110
PubChem CID:	99313690
Reduced:	ClFN3O3H17C20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	420.105625
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	6.56
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-(4-fluorophenyl)-3-methylimidazol-4-yl]carbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations