Geometry & MOs

Info

ID:	368148
PubChem CID:	127327699
Reduced:	FO2S2N4C15H19 (1)
Stoich.:	AB2C2D4E15F19 (1)
Weight, g/mol:	371.17012
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	6.63
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations