Geometry & MOs

Info

ID:

168373

PubChem CID:

74959017

Reduced:

FN5O5C27H32 (1)

Stoich.:

AB5C5D27E32 (1)

Weight, g/mol:

816.32026

ΔHf, kcal/mol:

-210.33

Dipole, Da:

4.81

IP(EA), eV:

 -8.7(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[[6-[[1-[[1-[3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]amino]-6-oxohexyl]amino]-2-oxoethyl] ethanethioate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)O)C2C(C(C(O2)N3C=NC4=C(N=CN=C43)NC5CCCCC5)(C)F)(C)OC(=O)C

DOS

IR

Vibrations