Geometry & MOs

Info

ID:	43000
PubChem CID:	10317674
Reduced:	ClON6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	380.129156
ΔH_f, kcal/mol:	77.17
Dipole, Da:	5.27
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,6R,8R)-4-chloro-3-ethenyl-2-isocyano-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.12,6.011,15]hexadeca-1(15),4,11,13-tetraene-9,16-dione

Drug info:

PubChemData

Smile

CNCCOC1=NC=C(C=C1)C2=C(C3=C(N2)N=CC(=C3)Cl)C4=CN=CN=C4

DOS

IR

Vibrations