Geometry & MOs

Info

ID:

398230

PubChem CID:

135032379

Reduced:

O2N4C33H38 (1)

Stoich.:

A2B4C33D38 (1)

Weight, g/mol:

643.2441

ΔHf, kcal/mol:

-11.44

Dipole, Da:

3.32

IP(EA), eV:

 -8.33(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[1-[1-(2-bromoanilino)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]indol-3-yl]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1=CN(C2=CC=CC=C21)[C@]34CCN([C@H]3N(C5=CC=CC=C45)CC6=CC=CC=C6)C

DOS

IR

Vibrations