Geometry & MOs

Info

ID:	45122
PubChem CID:	10508179
Reduced:	N2C31H34 (1)
Stoich.:	A2B31C34 (1)
Weight, g/mol:	625.23589
ΔH_f, kcal/mol:	110.8
Dipole, Da:	2.17
IP(EA), eV:	-6.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[[2-butyl-5-[2-(dimethylamino)-2-oxoethyl]-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CCCC1(C2=C(C=CC(=C2)C3=CC=[N+](C=C3)C)C4=C1C=C(C=C4)C5=CC=[N+](C=C5)C)CCC

DOS

IR

Vibrations