Geometry & MOs

Info

ID:

434593

PubChem CID:

135175282

Reduced:

SN4O4C30H34 (1)

Stoich.:

AB4C4D30E34 (1)

Weight, g/mol:

515.256626

ΔHf, kcal/mol:

-109.39

Dipole, Da:

3.12

IP(EA), eV:

 -9.15(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-2-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@]3(C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O)C

DOS

IR

Vibrations