Geometry & MOs

Info

ID:	168521
PubChem CID:	74982715
Reduced:	SO3N7C32H37 (1)
Stoich.:	AB3C7D32E37 (1)
Weight, g/mol:	492.140216
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	9.38
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-[5-[4-[6-[(2-thiophen-2-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)CC1=CC=CC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations