Geometry & MOs

Info

ID:	361433
PubChem CID:	127303412
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-158.65
Dipole, Da:	7.46
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations