Geometry & MOs

Info

ID:	63014
PubChem CID:	26737988
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	419.17012
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	5.96
IP(EA), eV:	-9.7(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations