Geometry & MOs

Info

ID:	175808
PubChem CID:	75950501
Reduced:	SO3N5C26H26 (1)
Stoich.:	AB3C5D26E26 (1)
Weight, g/mol:	487.106562
ΔH_f, kcal/mol:	75.57
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.955496
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-chlorophenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

C1CC[NH+](C(C1)C2=NC(=NO2)C3=CC=CC=C3)CC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=CO6

DOS

IR

Vibrations