Geometry & MOs

Info

ID:	62798
PubChem CID:	26736917
Reduced:	F2O2N3H17C19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	366.08497
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	9.34
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-difluoroanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)/C=C/C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations