Geometry & MOs

Info

ID:	162114
PubChem CID:	57393653
Reduced:	ClSN5O8C41H50 (1)
Stoich.:	ABC5D8E41F50 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-248.64
Dipole, Da:	7.29
IP(EA), eV:	-8.75(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC[C@@H]2[C@@H](C[C@H](N2C1=O)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC(=NC6=C5C=CC(=C6Cl)OCCOC)C7=NC(=CC=C7)C(C)C

DOS

IR

Vibrations