Geometry & MOs

Info

ID:	367261
PubChem CID:	127324038
Reduced:	FOSN5C18H22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	399.141676
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	1.39
IP(EA), eV:	-8.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCSC4=C3C=CC=C4F

DOS

IR

Vibrations