Geometry & MOs

Info

ID:	431798
PubChem CID:	135171904
Reduced:	S2O4N5C21H33 (1)
Stoich.:	A2B4C5D21E33 (1)
Weight, g/mol:	427.283492
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	4.82
IP(EA), eV:	-8.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[5-(methoxymethyl)pyridin-2-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=NN=C(S2)NS(=O)(=O)C

DOS

IR

Vibrations