Geometry & MOs

Info

ID:	124504
PubChem CID:	50885646
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	584.9994
ΔH_f, kcal/mol:	25.02
Dipole, Da:	2.99
IP(EA), eV:	-7.94(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 2-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-5-bromobenzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations