Geometry & MOs

Info

ID:	368147
PubChem CID:	127327698
Reduced:	O2S2N4C17H30 (1)
Stoich.:	A2B2C4D17E30 (1)
Weight, g/mol:	370.093346
ΔH_f, kcal/mol:	-45.53
Dipole, Da:	3.89
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1CC1)S(=O)(=O)N2CCCN(CC2)CC3=CSC(=N3)C

DOS

IR

Vibrations