Geometry & MOs

Info

ID:	167623
PubChem CID:	74848906
Reduced:	FSO2N4H27C28 (1)
Stoich.:	ABC2D4E27F28 (1)
Weight, g/mol:	482.264154
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	7.01
IP(EA), eV:	-8.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-morpholin-4-ylethyl)-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodec-3(7)-en-8-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CSC2=C(C#N)C(=O)N3CCN(CC3)C(=O)C4CCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations