Geometry & MOs

Info

ID:	433272
PubChem CID:	135173409
Reduced:	S2N3O3C29H29 (1)
Stoich.:	A2B3C3D29E29 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	7.06
IP(EA), eV:	-8.34(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyanilino)-4-(methylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)SNC3=CC=CC(=C3)NSC4=CC=CC(=C4)OC

DOS

IR

Vibrations