Geometry & MOs

Info

ID:	32094
PubChem CID:	4266047
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	445.18577
ΔH_f, kcal/mol:	73.0
Dipole, Da:	4.52
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclohexyl)-2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)NC2=CC=CC=C2C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations