Geometry & MOs

Info

ID:	137070
PubChem CID:	52148842
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	378.139113
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	5.58
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,6-difluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]oxamide

Drug info:

PubChemData

Smile

CCC[C@H](C)N(C)C(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations