Geometry & MOs

Info

ID:	49315
PubChem CID:	11532800
Reduced:	OF3N3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	465.20459
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	8.54
IP(EA), eV:	-8.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[5-[2-(dimethylamino)ethylamino]-4,7-dioxo-1,3-benzothiazole-2-carbonyl]amino]butyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C2=CC=C(C=C2)C3=C4C=CC=C(C4=NN3CC5=CC=CC=C5)C(F)(F)F

DOS

IR

Vibrations