Geometry & MOs

Info

ID:	149332
PubChem CID:	53789004
Reduced:	SC4N4H6O6 (1)
Stoich.:	AB4C4D6E6 (1)
Weight, g/mol:	585.170035
ΔH_f, kcal/mol:	-247.67
Dipole, Da:	5.04
IP(EA), eV:	-9.52(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-4-yl 5-[[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C(=O)(N)NC(=O)OSOC(=O)NC(=O)N

DOS

IR

Vibrations