Geometry & MOs

Info

ID:	77974
PubChem CID:	49681303
Reduced:	S2N5O5C22H25 (1)
Stoich.:	A2B5C5D22E25 (1)
Weight, g/mol:	465.071151
ΔH_f, kcal/mol:	-100.76
Dipole, Da:	10.59
IP(EA), eV:	-8.55(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(4-methoxyphenyl)ethylcarbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations