Geometry & MOs

Info

ID:	81610
PubChem CID:	49854921
Reduced:	SN3O6C26H27 (1)
Stoich.:	AB3C6D26E27 (1)
Weight, g/mol:	516.183127
ΔH_f, kcal/mol:	-144.85
Dipole, Da:	6.0
IP(EA), eV:	-8.19(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations