Geometry & MOs

Info

ID:	78597
PubChem CID:	49700360
Reduced:	FS2O3N5C20H20 (1)
Stoich.:	AB2C3D5E20F20 (1)
Weight, g/mol:	511.109645
ΔH_f, kcal/mol:	-51.95
Dipole, Da:	5.73
IP(EA), eV:	-8.94(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN=C(S2)SCC(=O)NCC3=CC=CO3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations