Geometry & MOs

Info

ID:	7249
PubChem CID:	71701
Reduced:	ClNaSN4O4C23H24 (1)
Stoich.:	ABCD4E4F23G24 (1)
Weight, g/mol:	510.110448
ΔH_f, kcal/mol:	-151.11
Dipole, Da:	7.5
IP(EA), eV:	-8.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]phenyl]sulfonyl-[5-(2-methylpropyl)pyrimidin-2-yl]azanide

Drug info:

PubChemData

Smile

CC(C)CC1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)CC(=O)NC3=C(C=CC(=C3)Cl)OC.[Na+]

DOS

IR

Vibrations