Geometry & MOs

Info

ID:

170966

PubChem CID:

75307046

Reduced:

O5N9C25H37 (2)

Stoich.:

A5B9C25D37 (2)

Weight, g/mol:

315.147058

ΔHf, kcal/mol:

-266.81

Dipole, Da:

26.85

IP(EA), eV:

 -8.19(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2,4-dioxo-6-phenyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[b]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC(CCCN=C(N)N)C(=O)NC1CCC(=O)NCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCN=C(N)N)CC2=CC=CC=C2)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations