Geometry & MOs

Info

ID:	126061
PubChem CID:	50950175
Reduced:	OSN7C14H17 (1)
Stoich.:	ABC7D14E17 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	71.19
Dipole, Da:	5.25
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-[(4-phenoxyphenyl)carbamoyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC(=O)NCCN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations