Geometry & MOs

Info

ID:

44473

PubChem CID:

10503690

Reduced:

NSO6C23H31 (1)

Stoich.:

ABC6D23E31 (1)

Weight, g/mol:

449.288971

ΔHf, kcal/mol:

-137.6

Dipole, Da:

9.15

IP(EA), eV:

 -8.73(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2R)-1-[hydroxy(2-phenylethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]13C[S@@](=O)/C(=C/C(OC)OC)/C[C@@H](O[C@@H]3C2)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations