Geometry & MOs

Info

ID:	403157
PubChem CID:	135059008
Reduced:	O5H22C28 (1)
Stoich.:	A5B22C28 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	1.84
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3E)-3-[3-(dimethylcarbamoylamino)-4-oxocyclohexa-2,5-dien-1-ylidene]-6-oxocyclohexa-1,4-dien-1-yl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC3=C(C=C2)OC(C3C4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)O)O

DOS

IR

Vibrations