Geometry & MOs

Info

ID:	76254
PubChem CID:	48424681
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-147.58
Dipole, Da:	1.75
IP(EA), eV:	-9.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCNC(=O)C1=CC=C(C=C1)F)OCC2CC2

DOS

IR

Vibrations