Geometry & MOs

Info

ID:	447674
PubChem CID:	135284657
Reduced:	O3F4N4C21H22 (1)
Stoich.:	A3B4C4D21E22 (1)
Weight, g/mol:	431.091532
ΔH_f, kcal/mol:	-256.89
Dipole, Da:	6.54
IP(EA), eV:	-9.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[4-methoxy-3-(trifluoromethyl)phenyl]pyridin-2-yl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC=NC3=CC(=NN23)C(F)(F)F)F)OC(=O)N

DOS

IR

Vibrations