Geometry & MOs

Info

ID:	444547
PubChem CID:	135262830
Reduced:	BrON3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	470.106706
ΔH_f, kcal/mol:	24.0
Dipole, Da:	2.95
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorofuran-2-yl)-(2,4-dimethylphenyl)methyl]-1-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=CC4=C(C=C3)N=C(N4)C)Br

DOS

IR

Vibrations