Geometry & MOs

Info

ID:

222878

PubChem CID:

85332869

Reduced:

KS2N3O7C24H30 (1)

Stoich.:

AB2C3D7E24F30 (1)

Weight, g/mol:

576.275941

ΔHf, kcal/mol:

-237.49

Dipole, Da:

8.45

IP(EA), eV:

 -9.06(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CN(C(CCCCNC(=O)CSC1=CC=CC=C1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].[K+]

DOS

IR

Vibrations