Geometry & MOs

Info

ID:

189290

PubChem CID:

77839307

Reduced:

N4O5C26H42 (1)

Stoich.:

A4B5C26D42 (1)

Weight, g/mol:

697.208834

ΔHf, kcal/mol:

-215.19

Dipole, Da:

5.78

IP(EA), eV:

 -8.8(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[1-[(2-methyl-2,3-dihydroindol-1-yl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]-(2,2,2-trichloroethoxycarbonyl)amino]-4-phenylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCNC(C)C(=O)N(CC(=O)OC(C)(C)C)N1CCN(CC1)C)C2=CC=CC=C2

DOS

IR

Vibrations