Geometry & MOs

Info

ID:

441316

PubChem CID:

135234104

Reduced:

SN5C18H25 (1)

Stoich.:

AB5C18D25 (1)

Weight, g/mol:

661.298114

ΔHf, kcal/mol:

69.41

Dipole, Da:

6.15

IP(EA), eV:

 -8.62(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-pyrrolidin-1-ylphenyl)-N-[[2-[(1S)-3-[5-[[2-(3-pyrrolidin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1lambda4-thia-2,3,4-triazacyclobut-4-en-1-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=N1)CC(=C)NC2=NN=C(S2)C3CCCCC3

DOS

IR

Vibrations