Geometry & MOs

Info

ID:	33532
PubChem CID:	7886845
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	375.143905
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	2.84
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC3=CC=CC(=C3)C#N

DOS

IR

Vibrations