Geometry & MOs

Info

ID:

423488

PubChem CID:

135119585

Reduced:

ClSN7O7C37H48 (1)

Stoich.:

ABC7D7E37F48 (1)

Weight, g/mol:

361.21139

ΔHf, kcal/mol:

-233.77

Dipole, Da:

7.8

IP(EA), eV:

 -8.96(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=C(C(=C(C=C4)OC)OC)Cl)C)C)C(C)C

DOS

IR

Vibrations