Geometry & MOs

Info

ID:

16221

PubChem CID:

461987

Reduced:

N7O8C45H51 (1)

Stoich.:

A7B8C45D51 (1)

Weight, g/mol:

817.379912

ΔHf, kcal/mol:

-221.55

Dipole, Da:

3.88

IP(EA), eV:

 -8.88(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NN(CC1=CC=C(C=C1)OC)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations