Geometry & MOs

Info

ID:	43494
PubChem CID:	10321387
Reduced:	N3O5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	447.158292
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	3.28
IP(EA), eV:	-8.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[3-[1-(4-phenoxyphenyl)benzimidazol-2-yl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=C2C=C(C(=CC2=C3C=NC4=CC5=C(C=C4C3=C1)OCO5)OC)OC

DOS

IR

Vibrations