Geometry & MOs

Info

ID:	82442
PubChem CID:	49856035
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	6.9
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(7S)-7-(2-methoxyethyl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(NC(=S)NC3=CC=CC(=C3)C(=O)O)O

DOS

IR

Vibrations