Geometry & MOs

Info

ID:	331222
PubChem CID:	127248629
Reduced:	OSN3C9H10 (2)
Stoich.:	ABC3D9E10 (2)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	10.45
Dipole, Da:	3.98
IP(EA), eV:	-9.08(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-(2-aminopyridin-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)S(=O)(=O)N2CCC(C2)C3=NC=NC=C3C4=CC(=NC=C4)N

DOS

IR

Vibrations