Geometry & MOs

Info

ID:	154562
PubChem CID:	56314026
Reduced:	FOS2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	372.167163
ΔH_f, kcal/mol:	-7.14
Dipole, Da:	4.24
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CC2=CSC(=N2)C3=CC=CS3)CC4=CC=CC=C4F

DOS

IR

Vibrations