Geometry & MOs

Info

ID:	448904
PubChem CID:	135294416
Reduced:	OSN6C19H26 (1)
Stoich.:	ABC6D19E26 (1)
Weight, g/mol:	542.340296
ΔH_f, kcal/mol:	0.93
Dipole, Da:	3.05
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(cyclohexanecarbonylamino)-3-[3-[ethanimidoyl(2-methylpropanimidoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1SC2=NC=C(N=C2N)N3CCC4(CC3)CCOC4)N)C

DOS

IR

Vibrations