Geometry & MOs

Info

ID:	196579
PubChem CID:	78850104
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	415.082447
ΔH_f, kcal/mol:	-137.15
Dipole, Da:	6.23
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CCCN(CC3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations