Geometry & MOs

Info

ID:

15942

PubChem CID:

455715

Reduced:

N3O6C28H41 (1)

Stoich.:

A3B6C28D41 (1)

Weight, g/mol:

515.299536

ΔHf, kcal/mol:

-270.21

Dipole, Da:

3.11

IP(EA), eV:

 -9.54(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-phenyl-3-(propan-2-yloxycarbonylamino)butyl]amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)C)O)O

DOS

IR

Vibrations