Geometry & MOs

Info

ID:	364085
PubChem CID:	127313874
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	372.128983
ΔH_f, kcal/mol:	-42.38
Dipole, Da:	0.91
IP(EA), eV:	-8.66(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CN2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations