Geometry & MOs

Info

ID:

378411

PubChem CID:

134224491

Reduced:

O9N11C48H67 (1)

Stoich.:

A9B11C48D67 (1)

Weight, g/mol:

524.267508

ΔHf, kcal/mol:

-371.57

Dipole, Da:

3.87

IP(EA), eV:

 -8.38(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N2)O)NC(=O)[C@H](CC4=CC=CC=C4)NCC(=O)O)CCCN=C(N)N)CC5=CNC6=CC=CC=C65

DOS

IR

Vibrations