Geometry & MOs

Info

ID:	233547
PubChem CID:	91145420
Reduced:	NOSF2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-97.38
Dipole, Da:	4.07
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetyl-4-(pent-4-en-2-ylamino)-7,14,15,16-tetrazatetracyclo[12.2.1.02,4.08,10]heptadeca-1(17),2,15-trien-5-one

Drug info:

PubChemData

Smile

C=C1CC(C(CC1F)NC(=O)C2=CSC3=CC=CC=C32)F

DOS

IR

Vibrations