Geometry & MOs

Info

ID:	402035
PubChem CID:	135053950
Reduced:	ClNPO3C30H37 (1)
Stoich.:	ABCD3E30F37 (1)
Weight, g/mol:	387.04701
ΔH_f, kcal/mol:	-164.28
Dipole, Da:	7.37
IP(EA), eV:	-9.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(S)-(4-bromophenyl)-(2-methoxyanilino)methyl]-3-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C[C@@](C)(C1=CC=C(C=C1)Cl)NP(=O)(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations