Geometry & MOs

Info

ID:	404036
PubChem CID:	135064680
Reduced:	BrNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	397.180681
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	3.42
IP(EA), eV:	-8.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2S)-2-(diphenylphosphorylamino)heptan-2-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C[C@H](C1=CC=C(C=C1)Br)NC2=CC=CC=C2O

DOS

IR

Vibrations