Geometry & MOs

Info

ID:	62799
PubChem CID:	26736922
Reduced:	SF2N2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	400.105705
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	6.59
IP(EA), eV:	-9.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)CCC(=O)NCCC(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations