Geometry & MOs

Info

ID:

302631

PubChem CID:

124385441

Reduced:

NO6H25C26 (1)

Stoich.:

AB6C25D26 (1)

Weight, g/mol:

544.362471

ΔHf, kcal/mol:

-197.18

Dipole, Da:

7.12

IP(EA), eV:

 -9.4(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-4-methyl-1-[4-[[(2S)-3-methyl-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)O)NC(=O)CC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C4=CC=CC=C4)C

DOS

IR

Vibrations