Geometry & MOs

Info

ID:	140244
PubChem CID:	52669592
Reduced:	ClNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	369.113171
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	2.19
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-N-[(S)-furan-2-yl(phenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O[C@H](C)C(=O)N[C@H](C2=CC=CC=C2)C3=CC=CO3)Cl

DOS

IR

Vibrations