Geometry & MOs

Info

ID:	238708
PubChem CID:	92765113
Reduced:	SO3N5C25H39 (1)
Stoich.:	AB3C5D25E39 (1)
Weight, g/mol:	362.214033
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	9.72
IP(EA), eV:	-7.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CCCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C=C4)C

DOS

IR

Vibrations