Geometry & MOs

Info

ID:	154755
PubChem CID:	56314272
Reduced:	FSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	437.229012
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	7.78
IP(EA), eV:	-8.83(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1-propan-2-ylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations