Geometry & MOs

Info

ID:	432110
PubChem CID:	135172242
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	477.262757
ΔH_f, kcal/mol:	-99.94
Dipole, Da:	7.4
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2-anilino-3,4-dioxocyclobuten-1-yl)amino]-4-[bis(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)NC2=C(C=CC(=C2)C(C)CC(=O)O)N(CC(C)C)CC(C)C

DOS

IR

Vibrations