Geometry & MOs

Info

ID:	68725
PubChem CID:	46508989
Reduced:	NSO5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	273.984673
ΔH_f, kcal/mol:	-131.95
Dipole, Da:	3.54
IP(EA), eV:	-8.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(2,2-dichlorocyclopropyl)methylsulfanyl]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CCC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations