Geometry & MOs

Info

ID:	417247
PubChem CID:	135091790
Reduced:	FSN3O6C31H34 (1)
Stoich.:	ABC3D6E31F34 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-227.65
Dipole, Da:	6.33
IP(EA), eV:	-9.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[6-amino-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)C4=CC=C(S4)C5CCCO5

DOS

IR

Vibrations