Geometry & MOs

Info

ID:	368145
PubChem CID:	127327696
Reduced:	FO2S2N3C17H22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	385.095241
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	5.15
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

DOS

IR

Vibrations