Geometry & MOs

Info

ID:

417861

PubChem CID:

135102932

Reduced:

SO5N10C37H50 (1)

Stoich.:

AB5C10D37E50 (1)

Weight, g/mol:

367.16444

ΔHf, kcal/mol:

-116.48

Dipole, Da:

7.89

IP(EA), eV:

 -8.53(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)CC5=CN(N=C5C)C)C

DOS

IR

Vibrations