Geometry & MOs

Info

ID:	420525
PubChem CID:	135113619
Reduced:	S2O5N6C28H38 (1)
Stoich.:	A2B5C6D28E38 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-178.74
Dipole, Da:	5.69
IP(EA), eV:	-8.69(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-ethoxypropan-2-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=CSC=N2)CC3=CC=CC=C3

DOS

IR

Vibrations