Geometry & MOs

Info

ID:

168520

PubChem CID:

74982600

Reduced:

SO2N7C27H29 (1)

Stoich.:

AB2C7D27E29 (1)

Weight, g/mol:

599.267859

ΔHf, kcal/mol:

46.18

Dipole, Da:

7.91

IP(EA), eV:

 -9.41(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[4-[5-[[2-[3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=NN=C(C=C2)CCCCC3=NN=C(S3)NC(=O)CC4=CC(=CC=C4)CN

DOS

IR

Vibrations