Geometry & MOs

Info

ID:	444614
PubChem CID:	135263025
Reduced:	ClO3N6C25H33 (1)
Stoich.:	AB3C6D25E33 (1)
Weight, g/mol:	478.192629
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	3.28
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-(1-ethyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCO[C@@H](C2)CO)N3C4=CC(=C(C=C4C=N3)Cl)C5CCN(CC5)CC(C)O

DOS

IR

Vibrations