Geometry & MOs

Info

ID:	347786
PubChem CID:	127272848
Reduced:	FSO2N3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	355.172976
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	3.34
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylmethyl)-4-(5-fluoropyridin-3-yl)sulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CC1CN2CCC(CC2)NS(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations