Geometry & MOs

Info

ID:	365139
PubChem CID:	127316923
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	379.112126
ΔH_f, kcal/mol:	61.29
Dipole, Da:	4.78
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations