Geometry & MOs

Info

ID:	189686
PubChem CID:	77889108
Reduced:	SO2N4H6C10 (1)
Stoich.:	AB2C4D6E10 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	67.95
Dipole, Da:	5.03
IP(EA), eV:	-9.36(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-amino-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-3-(methoxymethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC2=NNC(=O)C3=C2N=NC3=O

DOS

IR

Vibrations