Geometry & MOs

Info

ID:	80532
PubChem CID:	49834979
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	484.189275
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	4.3
IP(EA), eV:	-7.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-3-[N-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CN2C)CCC(=O)N/N=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations