Geometry & MOs

Info

ID:

215328

PubChem CID:

85084554

Reduced:

O6N11C42H59 (1)

Stoich.:

A6B11C42D59 (1)

Weight, g/mol:

814.426527

ΔHf, kcal/mol:

-192.23

Dipole, Da:

7.06

IP(EA), eV:

 -8.63(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[4-(3-aminopropoxy)-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-3-hydroxy-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1C(CCC=N1)C(=O)NC(CCCN)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NN)NC(=O)C(CC4=CNC5=CC=CC=C54)N

DOS

IR

Vibrations