Geometry & MOs

Info

ID:	144192
PubChem CID:	53329197
Reduced:	BrO9C33H35 (1)
Stoich.:	AB9C33D35 (1)
Weight, g/mol:	423.9245
ΔH_f, kcal/mol:	-290.75
Dipole, Da:	2.87
IP(EA), eV:	-9.21(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@]12CC(=O)C=C([C@H]1OC(O2)C3=C(C=C(C=C3C)C)C)CC4=C(C(=O)C5=C(C=CC(=C5C4=O)OCOC)OCOC)Br

DOS

IR

Vibrations