Geometry & MOs

Info

ID:	221793
PubChem CID:	85286149
Reduced:	N2Br3O8H11C18 (1)
Stoich.:	A2B3C8D11E18 (1)
Weight, g/mol:	623.02019
ΔH_f, kcal/mol:	-145.5
Dipole, Da:	3.68
IP(EA), eV:	-10.0(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[1-[2-benzamido-3-[(3,5-dibromopyridin-2-yl)amino]prop-2-enoyl]pyrrolidine-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

C1C(=NO)C(=O)OC12C=C(C(=O)C(=C2)Br)OC3=C(C=C(C=C3Br)CC(=NO)C(=O)O)Br

DOS

IR

Vibrations