Geometry & MOs

Info

ID:	34390
PubChem CID:	7891058
Reduced:	O5H16C20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	418.068881
ΔH_f, kcal/mol:	-139.23
Dipole, Da:	3.34
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations