Geometry & MOs

Info

ID:	161854
PubChem CID:	57392855
Reduced:	SN2O6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	367.141973
ΔH_f, kcal/mol:	-204.86
Dipole, Da:	4.52
IP(EA), eV:	-8.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E)-8-[[(3-hydroxy-2,2-dimethylpropyl)amino]methylidene]-4-methyl-2,7-dioxobenzo[h]chromene-10-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCNC(=O)[C@H](CS)NC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

DOS

IR

Vibrations