Geometry & MOs

Info

ID:	77401
PubChem CID:	48428588
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	387.068689
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	8.54
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC(=CC=C2)OCC(=O)N3CCCN(CC3)C4=NC=CS4

DOS

IR

Vibrations