Geometry & MOs

Info

ID:	221233
PubChem CID:	85261613
Reduced:	Cl2N3O5C27H29 (1)
Stoich.:	A2B3C5D27E29 (1)
Weight, g/mol:	548.176979
ΔH_f, kcal/mol:	-196.17
Dipole, Da:	4.39
IP(EA), eV:	-8.62(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[3-(1-benzofuran-2-yl)prop-2-enyl]-5-methyl-6-phenylsulfanyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2Cl)Cl)C=CC(=O)NC3=CC=C(C=C3)CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations