Geometry & MOs

Info

ID:	154763
PubChem CID:	56314283
Reduced:	OSF2N2H20C21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	396.164934
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	3.62
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)furan-2-yl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=C(C=CC=C3S2)F)CC4=CC=CC=C4F

DOS

IR

Vibrations