Geometry & MOs

Info

ID:	368144
PubChem CID:	127327695
Reduced:	O2S2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	383.113747
ΔH_f, kcal/mol:	-39.23
Dipole, Da:	4.5
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-fluorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)(=O)N2CCCN(CC2)CC3=CSC(=N3)C

DOS

IR

Vibrations