Geometry & MOs

Info

ID:	317384
PubChem CID:	126636946
Reduced:	SN3O5C20H33 (1)
Stoich.:	AB3C5D20E33 (1)
Weight, g/mol:	449.14455
ΔH_f, kcal/mol:	-222.04
Dipole, Da:	6.11
IP(EA), eV:	-9.45(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(3R,5S)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]pyrrolo[3,4-d]pyrimidin-2-yl]sulfinyl-2-methylguanidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N(C)C)CN[C@@H]2C[C@@H](COC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations