Geometry & MOs

Info

ID:	185063
PubChem CID:	77250696
Reduced:	BrO4N5C20H28 (1)
Stoich.:	AB4C5D20E28 (1)
Weight, g/mol:	494.222843
ΔH_f, kcal/mol:	-155.4
Dipole, Da:	6.5
IP(EA), eV:	-8.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(2,2-difluoroacetyl)amino]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methyl-2-(2-pyrrolidin-1-ylethyl)hex-4-enoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CNC2=NC=C(C(=C12)N3CCCC(C3)N(C(=O)O)C(C)(C)C)Br)O

DOS

IR

Vibrations