Geometry & MOs

Info

ID:

441352

PubChem CID:

135234299

Reduced:

N8O15C36H48 (1)

Stoich.:

A8B15C36D48 (1)

Weight, g/mol:

630.144314

ΔHf, kcal/mol:

-585.69

Dipole, Da:

10.1

IP(EA), eV:

 -7.95(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(1S,3S)-3-[5-[[2-[6-(methylideneamino)pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)CN(CCN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations