Geometry & MOs

Info

ID:	180769
PubChem CID:	76683198
Reduced:	N5O5C18H29 (1)
Stoich.:	A5B5C18D29 (1)
Weight, g/mol:	438.259068
ΔH_f, kcal/mol:	-199.09
Dipole, Da:	5.43
IP(EA), eV:	-9.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-amino-3-methylbutanoyl)oxy-1-(2-amino-4-oxo-4a,5,6,7-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)propan-2-yl] 2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(CC(=O)C(COC(C)C(C1CC2C(=NC1)NC(=NC2=O)N)O)N)C(=O)C

DOS

IR

Vibrations