Geometry & MOs

Info

ID:	310202
PubChem CID:	126576593
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	638.234511
ΔH_f, kcal/mol:	-22.93
Dipole, Da:	1.19
IP(EA), eV:	-8.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxysulfanyl-3-[(2R)-2-amino-3-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-3-oxopropyl]sulfanylpropyl] acetate

Drug info:

PubChemData

Smile

CC1C=CC(=CC1N2CCOCC2)C3=CC=CC4=C3C=CC(=C4)N5CCOCC5

DOS

IR

Vibrations