Geometry & MOs

Info

ID:	154352
PubChem CID:	56313769
Reduced:	OF4N5C23H23 (1)
Stoich.:	AB4C5D23E23 (1)
Weight, g/mol:	474.188961
ΔH_f, kcal/mol:	-151.11
Dipole, Da:	3.38
IP(EA), eV:	-8.84(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations