Geometry & MOs

Info

ID:	398932
PubChem CID:	135036405
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	485.117605
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	5.15
IP(EA), eV:	-9.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(4-chlorophenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-(furan-2-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1(CCCC(N1OC(=O)CCCCC(=O)C2=CC=CC=C2)(C)C)C

DOS

IR

Vibrations