Geometry & MOs

Info

ID:	173425
PubChem CID:	75637054
Reduced:	IO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	482.191366
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	6.27
IP(EA), eV:	-9.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[4-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]azanium

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC3C(N2C4CCC(CC4)I)NC(=O)NC3=O

DOS

IR

Vibrations