Geometry & MOs

Info

ID:

431622

PubChem CID:

135171718

Reduced:

NO2C11H17 (2)

Stoich.:

AB2C11D17 (2)

Weight, g/mol:

695.313957

ΔHf, kcal/mol:

-122.15

Dipole, Da:

3.78

IP(EA), eV:

 -8.88(-0.62)

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-[2-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations