Geometry & MOs

Info

ID:	244154
PubChem CID:	99319118
Reduced:	F2O3N4H22C25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	469.088339
ΔH_f, kcal/mol:	-119.5
Dipole, Da:	4.31
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)COC3=CC=CC(=C3)C(=O)NCCNC(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations