Geometry & MOs

Info

ID:	312881
PubChem CID:	126609420
Reduced:	NSO5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	540.128114
ΔH_f, kcal/mol:	-187.79
Dipole, Da:	9.3
IP(EA), eV:	-8.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-oxazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CCC(=O)O)C

DOS

IR

Vibrations