Geometry & MOs

Info

ID:	330471
PubChem CID:	127247878
Reduced:	SF2N3O3C14H19 (1)
Stoich.:	AB2C3D3E14F19 (1)
Weight, g/mol:	348.146741
ΔH_f, kcal/mol:	-199.39
Dipole, Da:	4.78
IP(EA), eV:	-9.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC(C1)C(=O)N)CC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations