Geometry & MOs

Info

ID:	297877
PubChem CID:	117636097
Reduced:	BrClON2F8H8C16 (1)
Stoich.:	ABCD2E8F8G16 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-404.75
Dipole, Da:	6.3
IP(EA), eV:	-9.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-ylmethylamino)-1-oxo-6-[(2-phenylcyclopropyl)amino]hexan-2-yl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)N)F)C(=O)NC2=C(C=C(C=C2Br)C(C(F)(F)F)(C(F)(F)F)F)Cl

DOS

IR

Vibrations