Geometry & MOs

Info

ID:	244155
PubChem CID:	99319123
Reduced:	SO2N3F5H16C21 (1)
Stoich.:	AB2C3D5E16F21 (1)
Weight, g/mol:	460.171082
ΔH_f, kcal/mol:	-263.77
Dipole, Da:	2.43
IP(EA), eV:	-9.78(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=CS2)CC(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F)C(F)(F)F

DOS

IR

Vibrations