Geometry & MOs

Info

ID:	196035
PubChem CID:	78769062
Reduced:	NO2F3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	371.133734
ΔH_f, kcal/mol:	-185.77
Dipole, Da:	3.64
IP(EA), eV:	-9.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1,4-diazepan-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)C2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations