Geometry & MOs

Info

ID:

329284

PubChem CID:

126733994

Reduced:

N7O8C29H35 (1)

Stoich.:

A7B8C29D35 (1)

Weight, g/mol:

609.254711

ΔHf, kcal/mol:

-277.93

Dipole, Da:

5.34

IP(EA), eV:

 -9.5(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-butyl 1-O-methyl (2S)-2-[[4-[formyl-[[2-(2-methylpropanoylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)COC(=O)CC[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C(C)C)C=O

DOS

IR

Vibrations