Geometry & MOs

Info

ID:	196039
PubChem CID:	78769561
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	5.5
IP(EA), eV:	-9.37(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC1CC=CCC1COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations