Geometry & MOs

Info

ID:

215078

PubChem CID:

85084111

Reduced:

O6C19H21 (2)

Stoich.:

A6B19C21 (2)

Weight, g/mol:

690.340193

ΔHf, kcal/mol:

-477.94

Dipole, Da:

3.92

IP(EA), eV:

 -10.07(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-amino-3-(4-fluorophenyl)propanoyl]-N-[1-[[2-[[1-amino-3-(4-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,5-dihydropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C2CC(C34C(C2(C1OC(=O)C5=CC=CC=C5)C)C(C(C(O3)(C(=O)O4)C)C=C)OC(=O)C6=CC=CC=C6)O)(C)C)OC(=O)C

DOS

IR

Vibrations