Geometry & MOs

Info

ID:

163445

PubChem CID:

57963419

Reduced:

ON5F6C31H35 (1)

Stoich.:

AB5C6D31E35 (1)

Weight, g/mol:

536.29987

ΔHf, kcal/mol:

-288.53

Dipole, Da:

3.72

IP(EA), eV:

 -8.29(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(diethylamino)pyrrolidin-1-yl]-2-[4-[(E)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxoprop-1-enyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@@H](C[C@@H](N1)CC2=CC=CC=C2)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)N5CCOCC5

DOS

IR

Vibrations