Geometry & MOs

Info

ID:	77973
PubChem CID:	49681292
Reduced:	Cl2O2S2N4C13H14 (1)
Stoich.:	A2B2C2D4E13F14 (1)
Weight, g/mol:	503.129711
ΔH_f, kcal/mol:	-26.18
Dipole, Da:	2.38
IP(EA), eV:	-9.05(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations