Geometry & MOs

Info

ID:	218675
PubChem CID:	85089794
Reduced:	N4O5C27H34 (1)
Stoich.:	A4B5C27D34 (1)
Weight, g/mol:	494.187543
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	5.11
IP(EA), eV:	-8.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(3,5-ditert-butylphenyl)-hydroxymethyl]-3-oxo-1,4-benzoxazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCC=NOCC(=O)N1CCCC(=N1)C2=CC(=C(C=C2)OC)OC3=CC=C(C=C3)NC(=O)C(C)(C)C

DOS

IR

Vibrations