Geometry & MOs

Info

ID:

423057

PubChem CID:

135118850

Reduced:

O7N11C43H53 (1)

Stoich.:

A7B11C43D53 (1)

Weight, g/mol:

356.140593

ΔHf, kcal/mol:

-173.51

Dipole, Da:

7.59

IP(EA), eV:

 -8.4(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=NN6C=CC=NC6=N5)C(C)C

DOS

IR

Vibrations