Geometry & MOs

Info

ID:	192313
PubChem CID:	78255834
Reduced:	ClSN3O4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	411.118753
ΔH_f, kcal/mol:	-75.21
Dipole, Da:	5.23
IP(EA), eV:	-9.18(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-7-phenyl-3-prop-2-enylsulfanyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,10(15)-trien-8-one

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5CCC(CC5C3=O)Cl

DOS

IR

Vibrations