Geometry & MOs

Info

ID:

440877

PubChem CID:

135231982

Reduced:

SO3N10C31H52 (1)

Stoich.:

AB3C10D31E52 (1)

Weight, g/mol:

690.444184

ΔHf, kcal/mol:

-102.11

Dipole, Da:

8.35

IP(EA), eV:

 -8.84(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-[3-[4-[[2-[[2-[3-[3-(cyclohexylamino)propylamino]propyl]tetrazol-5-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)NCC2=NN=C(S2)CCCNCCCNC3CCCCC3)NC4CCN(CC4)C(=O)CCNCC(=O)O

DOS

IR

Vibrations