Geometry & MOs

Info

ID:	369628
PubChem CID:	127334958
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-178.03
Dipole, Da:	5.95
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycycloheptyl)methyl]-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)O

DOS

IR

Vibrations