Geometry & MOs

Info

ID:	81660
PubChem CID:	49854977
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	308.13472
ΔH_f, kcal/mol:	112.88
Dipole, Da:	7.32
IP(EA), eV:	-9.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7R)-5-methyl-13-thia-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-8(21),9,11,15,17,19-hexaene

Drug info:

PubChemData

Smile

[11CH3]C1=CC=C(C=C1)CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3

DOS

IR

Vibrations