Geometry & MOs

Info

ID:	209216
PubChem CID:	80639444
Reduced:	OSN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	51.52
Dipole, Da:	1.83
IP(EA), eV:	-8.74(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-yl]sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)SC3=NC=C(C=C3)C=O

DOS

IR

Vibrations