Geometry & MOs

Info

ID:	77977
PubChem CID:	49681326
Reduced:	O2S2N4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	471.139882
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	4.25
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCSC1=NN=C(S1)NC(=O)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations