Geometry & MOs

Info

ID:

173145

PubChem CID:

75603862

Reduced:

FN7O8C36H52 (1)

Stoich.:

AB7C8D36E52 (1)

Weight, g/mol:

825.38614

ΔHf, kcal/mol:

-390.47

Dipole, Da:

8.45

IP(EA), eV:

 -9.12(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-[[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]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)N2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)NC(=O)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations