Geometry & MOs

Info

ID:	360558
PubChem CID:	127301203
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	363.086447
ΔH_f, kcal/mol:	-131.01
Dipole, Da:	3.8
IP(EA), eV:	-8.63(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)NC(=O)CN2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations