Geometry & MOs

Info

ID:	78595
PubChem CID:	49693745
Reduced:	ClS2N4O4C19H21 (1)
Stoich.:	AB2C4D4E19F21 (1)
Weight, g/mol:	394.109563
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	4.17
IP(EA), eV:	-9.58(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[4-(2-chloro-6-fluorophenyl)oxan-4-yl]methyl]-N-(furan-2-ylmethyl)oxamide

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=C(S3)Cl

DOS

IR

Vibrations