Geometry & MOs

Info

ID:	126719
PubChem CID:	50974657
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-53.49
Dipole, Da:	5.13
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-2-(cycloheptanecarbonyl)-5-(cyclopropanecarbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)SCC(=O)N1CCN2C(=CC(=N2)C(=O)N3CCN(CC3)C)C1

DOS

IR

Vibrations