Geometry & MOs

Info

ID:	136401
PubChem CID:	52033728
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	403.25834
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	2.6
IP(EA), eV:	-8.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethoxycyclohexyl)methyl]-3-(4-oxo-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C2=NC3=CC=CC=C3N(C2=O)CCC(=O)NCC4=CC=C(C=C4)SC

DOS

IR

Vibrations