Geometry & MOs

Info

ID:	85641
PubChem CID:	49877828
Reduced:	NOC28H37 (1)
Stoich.:	ABC28D37 (1)
Weight, g/mol:	456.114378
ΔH_f, kcal/mol:	-86.2
Dipole, Da:	2.99
IP(EA), eV:	-8.53(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[4-[4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]sulfonylanilino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations