Geometry & MOs

Info

ID:	218095
PubChem CID:	85088864
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	428.032306
ΔH_f, kcal/mol:	-59.13
Dipole, Da:	2.17
IP(EA), eV:	-9.48(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(2-phenylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1C(N(CN(C1=O)C(C)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations