Geometry & MOs

Info

ID:	186802
PubChem CID:	77487348
Reduced:	FN2O2C25H27 (1)
Stoich.:	AB2C2D25E27 (1)
Weight, g/mol:	568.175596
ΔH_f, kcal/mol:	-51.79
Dipole, Da:	5.13
IP(EA), eV:	-8.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-(2-methylpyrazol-3-yl)-N-[1-(4-oxo-2H-1,3-benzoxazin-3-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C=CC2=C(C(=CC(=C2)C3C=C(C=NC3=O)F)C(C)(C)C)OC

DOS

IR

Vibrations