Geometry & MOs

Info

ID:	12177
PubChem CID:	131878
Reduced:	O5N7C23H23 (1)
Stoich.:	A5B7C23D23 (1)
Weight, g/mol:	477.176067
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	2.61
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C#CCN(CC1=CC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations