Geometry & MOs

Info

ID:

324100

PubChem CID:

126676920

Reduced:

BrClPN4O10C24H31 (1)

Stoich.:

ABCD4E10F24G31 (1)

Weight, g/mol:

478.294391

ΔHf, kcal/mol:

-472.66

Dipole, Da:

5.32

IP(EA), eV:

 -9.57(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-5-[(Z)-1-(methylamino)pent-1-enyl]-1-[[3-(2-morpholin-4-ylethyl)phenyl]methyl]-6-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(Cl)Br)N2C=CC(=O)NC2=O)CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3)N

DOS

IR

Vibrations