Geometry & MOs

Info

ID:

328366

PubChem CID:

126701200

Reduced:

BrO4N5C22H22 (1)

Stoich.:

AB4C5D22E22 (1)

Weight, g/mol:

824.266021

ΔHf, kcal/mol:

0.44

Dipole, Da:

6.55

IP(EA), eV:

 -8.62(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[2-(4-carbamimidoylphenoxy)ethylamino]-1,4-dioxo-4-(2-sulfoethylamino)butan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC2=C(O1)C=CC(=N2)C3=NC4=C5N3CCCCOC5=CC(=C4)Br

DOS

IR

Vibrations