Geometry & MOs

Info

ID:	126659
PubChem CID:	50972329
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-100.38
Dipole, Da:	5.41
IP(EA), eV:	-8.49(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCN(CC3)S(=O)(=O)CC

DOS

IR

Vibrations