Geometry & MOs

Info

ID:	403176
PubChem CID:	135059068
Reduced:	BrO3N4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	432.07249
ΔH_f, kcal/mol:	23.06
Dipole, Da:	2.27
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(bromomethyl)-2-(4-methylphenyl)-5-phenyl-3H-furan-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]([C@@H](C(=O)N2[C@@H](CC[C@H]2C3=CC=CC=C3)C4=CC=CC=C4)Br)N=[N+]=[N-])OC

DOS

IR

Vibrations