Geometry & MOs

Info

ID:	77547
PubChem CID:	49655340
Reduced:	ClFSN4H8C12 (1)
Stoich.:	ABCD4E8F12 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	87.84
Dipole, Da:	7.08
IP(EA), eV:	-9.29(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxypyran-4-one

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2N=C(S3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations