Geometry & MOs

Info

ID:

15660

PubChem CID:

446991

Reduced:

N9O13C30H35 (1)

Stoich.:

A9B13C30D35 (1)

Weight, g/mol:

729.235432

ΔHf, kcal/mol:

-490.66

Dipole, Da:

15.93

IP(EA), eV:

 -9.16(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(4S)-4-[[(4S)-4-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2C=NC3=C(N2C=O)C(=O)N=C(N3)N

DOS

IR

Vibrations