Geometry & MOs

Info

ID:	448916
PubChem CID:	135294474
Reduced:	OSN9C22H33 (1)
Stoich.:	ABC9D22E33 (1)
Weight, g/mol:	436.247225
ΔH_f, kcal/mol:	89.42
Dipole, Da:	6.1
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropyl]-ethenylamino]ethenyl]-N-ethanimidoyl-2-methylpropanimidamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C(C)CC2CCN2CCC(C3=CC=CS3)NC(=O)CN4C=NN=N4)C(C)C

DOS

IR

Vibrations