Geometry & MOs

Info

ID:

420516

PubChem CID:

135113551

Reduced:

SO5N10C39H48 (1)

Stoich.:

AB5C10D39E48 (1)

Weight, g/mol:

349.236542

ΔHf, kcal/mol:

-98.18

Dipole, Da:

11.77

IP(EA), eV:

 -8.47(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide

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=NC6=CC=CC=C6N5)C

DOS

IR

Vibrations