Geometry & MOs

Info

ID:	163269
PubChem CID:	57682024
Reduced:	SO2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	23.5
Dipole, Da:	8.39
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-acetylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)C4=CC5=C(C=C4)N=C(N5)C)C

DOS

IR

Vibrations