Geometry & MOs

Info

ID:

164329

PubChem CID:

74382947

Reduced:

ClS2O5N7C27H38 (1)

Stoich.:

AB2C5D7E27F38 (1)

Weight, g/mol:

690.340193

ΔHf, kcal/mol:

-158.1

Dipole, Da:

9.18

IP(EA), eV:

 -9.09(-0.76)

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-(2-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

CS(=O)(=O)NC(CCC1CCNCC1)C(=O)N2CC(CC2C(=O)NCC3=CN=C(S3)C(=N)N)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations