Geometry & MOs

Info

ID:	154858
PubChem CID:	56314401
Reduced:	FO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	-20.27
Dipole, Da:	5.86
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC=N2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations