Geometry & MOs

Info

ID:	122451
PubChem CID:	50807221
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-51.78
Dipole, Da:	2.85
IP(EA), eV:	-8.8(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-methylpropyl)amino]-5-(propanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C=NC2=C(C1=O)SC3=C2C(=CC(=N3)C)C

DOS

IR

Vibrations