Geometry & MOs

Info

ID:	43428
PubChem CID:	10321278
Reduced:	PN7O8C14H20 (1)
Stoich.:	AB7C8D14E20 (1)
Weight, g/mol:	444.046604
ΔH_f, kcal/mol:	-300.48
Dipole, Da:	7.26
IP(EA), eV:	-9.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-methyl-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)N=O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O

DOS

IR

Vibrations