Geometry & MOs

Info

ID:

329283

PubChem CID:

126733990

Reduced:

N4O6C47H74 (1)

Stoich.:

A4B6C47D74 (1)

Weight, g/mol:

609.254711

ΔHf, kcal/mol:

-357.3

Dipole, Da:

5.27

IP(EA), eV:

 -8.82(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(=O)NC1=CC=C(C=C1)CO)NC(=O)CCC(=O)NCCCO[C@H]2CCC3[C@H]4CCC5C(C4CC=C3C2)CCC5C(C)CCCC(C)C

DOS

IR

Vibrations