Geometry & MOs

Info

ID:	313035
PubChem CID:	126610869
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	380.144432
ΔH_f, kcal/mol:	-19.33
Dipole, Da:	1.47
IP(EA), eV:	-7.87(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)methyl-methylamino]acetyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C)C1=CC2=C(C=C1)C(=CC=C2)OC

DOS

IR

Vibrations