Geometry & MOs

Info

ID:	77983
PubChem CID:	49681358
Reduced:	S2O4N5C22H23 (1)
Stoich.:	A2B4C5D22E23 (1)
Weight, g/mol:	514.091552
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	12.22
IP(EA), eV:	-8.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(4-methoxyphenyl)ethylcarbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations