Geometry & MOs

Info

ID:	29195
PubChem CID:	832277
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	320.109568
ΔH_f, kcal/mol:	12.93
Dipole, Da:	3.38
IP(EA), eV:	-9.17(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Drug info:

PubChemData

Smile

CC1=CC[C@@H](CC1=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=C)C

DOS

IR

Vibrations