Geometry & MOs

Info

ID:	77979
PubChem CID:	49681350
Reduced:	S2O4N5C21H23 (1)
Stoich.:	A2B4C5D21E23 (1)
Weight, g/mol:	473.119147
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	11.96
IP(EA), eV:	-8.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations