Geometry & MOs

Info

ID:

128246

PubChem CID:

51036832

Reduced:

N7O7C36H45 (1)

Stoich.:

A7B7C36D45 (1)

Weight, g/mol:

719.327876

ΔHf, kcal/mol:

-252.47

Dipole, Da:

6.76

IP(EA), eV:

 -8.76(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S,3S)-3-hydroxy-1-[(2S)-2-[5-[4-[4-[[(3R)-1-[(2R,3S)-3-hydroxy-2-(methoxycarbonylamino)butanoyl]pyrrolidine-3-carbonyl]amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C(=O)N1CC[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CN=C(N4)[C@@H]5CCCN5C(=O)[C@H](CC)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations