Geometry & MOs

Info

ID:	133428
PubChem CID:	51525287
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	371.120467
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	7.17
IP(EA), eV:	-9.71(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,13-dimethyl-4-[(1S,2S)-2-phenylcyclopropyl]-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)C2=CC(=NC3=C2C(=NO3)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations