Geometry & MOs

Info

ID:	431869
PubChem CID:	135171990
Reduced:	SO2N3C25H39 (1)
Stoich.:	AB2C3D25E39 (1)
Weight, g/mol:	464.270879
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	5.74
IP(EA), eV:	-8.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(1,1-dioxothian-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NC(=CS2)C(C)(C)C

DOS

IR

Vibrations