Geometry & MOs

Info

ID:	52457
PubChem CID:	12015322
Reduced:	NSO3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	287.105862
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	4.87
IP(EA), eV:	-9.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methoxy-15-azapentacyclo[8.6.0.02,14.03,13.04,9]hexadeca-4,6,8,11,15-pentaene-3,11-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1C(=O)N3C[C@H]4[C@@H]5CC[C@H]([C@H]4S3(=O)=O)C=C5)C=C2

DOS

IR

Vibrations