Geometry & MOs

Info

ID:

173143

PubChem CID:

75603860

Reduced:

ClO2N3C15H18 (1)

Stoich.:

AB2C3D15E18 (1)

Weight, g/mol:

678.317726

ΔHf, kcal/mol:

-50.22

Dipole, Da:

5.91

IP(EA), eV:

 -9.26(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[2-[[1-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CC2CN2CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations