Geometry & MOs

Info

ID:	77982
PubChem CID:	49681353
Reduced:	S2O4N5C22H25 (1)
Stoich.:	A2B4C5D22E25 (1)
Weight, g/mol:	485.119147
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	2.73
IP(EA), eV:	-8.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations