Geometry & MOs

Info

ID:

317591

PubChem CID:

126644218

Reduced:

ClS2O7N9C59H64 (1)

Stoich.:

AB2C7D9E59F64 (1)

Weight, g/mol:

344.194737

ΔHf, kcal/mol:

-148.62

Dipole, Da:

16.71

IP(EA), eV:

 -9.22(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=CN=C(N32)C)CC(=O)N[C@H](C)C4=CC=C(C=C4)C5=CC(=NC=C5)OCCOCC(=O)N[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)NCC7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)C)C9=CC=C(C=C9)Cl)C

DOS

IR

Vibrations