Geometry & MOs

Info

ID:

421079

PubChem CID:

135115358

Reduced:

SO5N9C38H47 (1)

Stoich.:

AB5C9D38E47 (1)

Weight, g/mol:

385.167142

ΔHf, kcal/mol:

-121.61

Dipole, Da:

4.97

IP(EA), eV:

 -9.3(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethyl-4,6-dimethyl-2-oxopyridine-3-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=CC=C(C=C4)N5C=CN=C5)C)C)C(C)C

DOS

IR

Vibrations