Geometry & MOs

Info

ID:	298466
PubChem CID:	117650018
Reduced:	ClFSN4O5C23H26 (1)
Stoich.:	ABCD4E5F23G26 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	-177.62
Dipole, Da:	7.29
IP(EA), eV:	-8.84(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]pyridin-2-yl]propoxy]-11-methyl-7,8,9,10-tetrahydrocyclohepta[b]naphthalen-6-imine

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1F)C2=CC3=C(C(=C2)OCCO)N=C(N=C3N4CCOCC4)Cl

DOS

IR

Vibrations