Geometry & MOs

Info

ID:

179657

PubChem CID:

76517974

Reduced:

F2N2O3C30H32 (1)

Stoich.:

A2B2C3D30E32 (1)

Weight, g/mol:

538.11371

ΔHf, kcal/mol:

-125.22

Dipole, Da:

6.21

IP(EA), eV:

 -8.98(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-methyl-1-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-ium-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate;bromide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(C2=CC(=CC(=C2)F)F)C(=NOCC3=CC=C(C=C3)CN4CC(C4)C(=O)O)C)C

DOS

IR

Vibrations