Geometry & MOs

Info

ID:	45022
PubChem CID:	10507262
Reduced:	N5O7C29H39 (1)
Stoich.:	A5B7C29D39 (1)
Weight, g/mol:	569.19058
ΔH_f, kcal/mol:	-301.3
Dipole, Da:	4.71
IP(EA), eV:	-8.96(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl]benzoyl]sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)N

DOS

IR

Vibrations