Geometry & MOs

Info

ID:	244177
PubChem CID:	99319217
Reduced:	F2O2S2N3H15C18 (1)
Stoich.:	A2B2C2D3E15F18 (1)
Weight, g/mol:	390.139113
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	2.21
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations