Geometry & MOs

Info

ID:	154460
PubChem CID:	56313901
Reduced:	FOSN4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	401.103183
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	4.13
IP(EA), eV:	-8.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations