Geometry & MOs

Info

ID:	378884
PubChem CID:	134224986
Reduced:	OSN7H15C16 (1)
Stoich.:	ABC7D15E16 (1)
Weight, g/mol:	467.372307
ΔH_f, kcal/mol:	111.17
Dipole, Da:	3.67
IP(EA), eV:	-8.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[3-[(carbamoylamino)methyl]cyclohexyl]methylamino]-6-oxohexyl] 2-tert-butyl-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

C1CS(=O)CCC1(C#N)NC2=NC(=NC=C2)C3=C4C=CNC4=NC=N3

DOS

IR

Vibrations