Geometry & MOs

Info

ID:

128132

PubChem CID:

51032266

Reduced:

N17O27C73H111 (1)

Stoich.:

A17B27C73D111 (1)

Weight, g/mol:

253.080898

ΔHf, kcal/mol:

-1267.31

Dipole, Da:

3.5

IP(EA), eV:

 -8.54(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-4-(5-deuterio-2-formamidophenyl)-3-hydroxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(=O)N)C(C(=O)O)OC)CCCCN)CC(=O)O)C)C)NC(=O)[C@H](C(C(=O)N)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CCCCCCC(C)CC)C

DOS

IR

Vibrations