Geometry & MOs

Info

ID:	133457
PubChem CID:	51530771
Reduced:	N3O5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	372.113036
ΔH_f, kcal/mol:	-135.25
Dipole, Da:	5.12
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5,7-dimethyl-2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylpyrido[2,3-d]pyrimidin-4-olate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CO3)N4CCCCC4

DOS

IR

Vibrations