Geometry & MOs

Info

ID:	164144
PubChem CID:	74382089
Reduced:	OSCl2F3N4H17C19 (1)
Stoich.:	ABC2D3E4F17G19 (1)
Weight, g/mol:	576.097652
ΔH_f, kcal/mol:	-121.81
Dipole, Da:	3.47
IP(EA), eV:	-9.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-3-[2-(trifluoromethyl)phenyl]propyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)NC(CC3=CC=CC=C3C(F)(F)F)CN)Cl

DOS

IR

Vibrations