Geometry & MOs

Info

ID:

376831

PubChem CID:

134222858

Reduced:

ClF2O2N7H26C30 (1)

Stoich.:

AB2C2D7E26F30 (1)

Weight, g/mol:

333.205242

ΔHf, kcal/mol:

-37.61

Dipole, Da:

6.22

IP(EA), eV:

 -8.65(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-acetyl-3-ethenyl-2-[methyl-[(Z)-prop-2-enylideneamino]amino]-2,3-dihydropyrrol-1-yl]acetate

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl)CCN4C5=C(C=C(C=C5)C6=CNN=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations