Geometry & MOs

Info

ID:	25166
PubChem CID:	620512
Reduced:	FOSN2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	362.108899
ΔH_f, kcal/mol:	30.46
Dipole, Da:	1.99
IP(EA), eV:	-8.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-methoxyphenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C(=NO)S2)C3=CC=C(C=C3)F

DOS

IR

Vibrations