Geometry & MOs

Info

ID:	358098
PubChem CID:	127295643
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-60.8
Dipole, Da:	4.26
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations