Geometry & MOs

Info

ID:

16994

PubChem CID:

481814

Reduced:

O4N5C30H47 (1)

Stoich.:

A4B5C30D47 (1)

Weight, g/mol:

541.362805

ΔHf, kcal/mol:

-203.63

Dipole, Da:

0.9

IP(EA), eV:

 -9.1(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-tert-butyl-3-[(2S,3R)-4-[[(2R,3S)-3-(tert-butylcarbamoylamino)-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations