Geometry & MOs

Info

ID:	443361
PubChem CID:	135258715
Reduced:	SO4N5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	5.03
IP(EA), eV:	-8.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-2,4,6-trimethylanilino)benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=C5C(=O)NC6(N5C4=O)CCCCC6)C

DOS

IR

Vibrations