Geometry & MOs

Info

ID:	161940
PubChem CID:	57393123
Reduced:	O2S2F3N4H9C16 (1)
Stoich.:	A2B2C3D4E9F16 (1)
Weight, g/mol:	394.042188
ΔH_f, kcal/mol:	-120.92
Dipole, Da:	4.97
IP(EA), eV:	-9.12(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dichlorophenyl)methyl]-7-thiomorpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C(F)(F)F)/C=C\4/C(=O)NC(=O)S4

DOS

IR

Vibrations