Geometry & MOs

Info

ID:	364074
PubChem CID:	127313863
Reduced:	S2O3N4C17H26 (1)
Stoich.:	A2B3C4D17E26 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	-105.0
Dipole, Da:	5.68
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)CN3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations