Geometry & MOs

Info

ID:	31853
PubChem CID:	3721155
Reduced:	ClFO3N5C17H19 (1)
Stoich.:	ABC3D5E17F19 (1)
Weight, g/mol:	432.08116
ΔH_f, kcal/mol:	-58.33
Dipole, Da:	3.48
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations