Geometry & MOs

Info

ID:	76255
PubChem CID:	48424686
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	364.15537
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	4.08
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations