Geometry & MOs

Info

ID:	232614
PubChem CID:	87576521
Reduced:	NNaSO5C10H13 (1)
Stoich.:	ABCD5E10F13 (1)
Weight, g/mol:	500.103352
ΔH_f, kcal/mol:	-243.49
Dipole, Da:	10.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125392
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[6-chloro-5-[[4-(2-hydroxypropan-2-yl)phenyl]sulfonylamino]pyridin-3-yl]benzotriazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)O.[Na]

DOS

IR

Vibrations