Geometry & MOs

Info

ID:	139186
PubChem CID:	52487742
Reduced:	N2O5C21H32 (1)
Stoich.:	A2B5C21D32 (1)
Weight, g/mol:	366.121355
ΔH_f, kcal/mol:	-198.32
Dipole, Da:	5.89
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[3-[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@@H](C1=CC=C(C=C1)OC)N2CCOCC2)OC[C@@H]3CCCO3

DOS

IR

Vibrations