Geometry & MOs

Info

ID:	233456
PubChem CID:	90944544
Reduced:	SO3N5C27H27 (1)
Stoich.:	AB3C5D27E27 (1)
Weight, g/mol:	389.161853
ΔH_f, kcal/mol:	-10.21
Dipole, Da:	9.16
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-2-(chloromethyl)imidazo[4,5-c]quinolin-1-yl]propyl N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)N(C4CCNCC4)C5=NC=CC=N5

DOS

IR

Vibrations