Geometry & MOs

Info

ID:	381305
PubChem CID:	134971998
Reduced:	ClO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	32.47
Dipole, Da:	4.13
IP(EA), eV:	-9.58(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-2-phenylmethoxyiminoethanone

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=C(C=CN=C1)Cl)/N=[N+]=[N-]

DOS

IR

Vibrations