Geometry & MOs

Info

ID:

439368

PubChem CID:

135229141

Reduced:

N4O6C31H48 (1)

Stoich.:

A4B6C31D48 (1)

Weight, g/mol:

756.344254

ΔHf, kcal/mol:

-277.68

Dipole, Da:

2.31

IP(EA), eV:

 -8.53(-0.29)

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-oxo-6-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(CCCN(C)CCCN1C=CC=C(C1=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations