Geometry & MOs

Info

ID:

168523

PubChem CID:

74982717

Reduced:

SO2N8C30H30 (1)

Stoich.:

AB2C8D30E30 (1)

Weight, g/mol:

572.220575

ΔHf, kcal/mol:

83.72

Dipole, Da:

6.78

IP(EA), eV:

 -9.28(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-[2-oxo-2-[[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]amino]ethyl]phenyl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)CN5C=CC=N5

DOS

IR

Vibrations