Geometry & MOs

Info

ID:

180225

PubChem CID:

76602010

Reduced:

FSN5O5C41H56 (1)

Stoich.:

ABC5D5E41F56 (1)

Weight, g/mol:

632.303242

ΔHf, kcal/mol:

-288.06

Dipole, Da:

4.31

IP(EA), eV:

 -8.96(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-cyclohexyl-2-[4-oxo-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)CCN1C(SC(C1=O)CC(=O)N2CCC(CC2)N3CCC4=CC=CC=C4NC3=O)C5=C(C(=CC=C5)F)C6CCN(CC6)C(=O)OC(C)(C)C

DOS

IR

Vibrations