Geometry & MOs

Info

ID:	427562
PubChem CID:	135159888
Reduced:	FOSN5C22H22 (1)
Stoich.:	ABCD5E22F22 (1)
Weight, g/mol:	415.172976
ΔH_f, kcal/mol:	46.5
Dipole, Da:	3.32
IP(EA), eV:	-8.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-(aminomethylidene)-6-(4-fluorophenyl)imino-2-(oxolan-2-ylmethylsulfanyl)-1,3,4,8-tetrahydroisoquinoline-8a-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)SN2CCC3=CC4=C(CC3(C2)C=O)C=NN4C5=CC=C(C=C5)F)C

DOS

IR

Vibrations