Geometry & MOs

Info

ID:	314886
PubChem CID:	126623893
Reduced:	FN4O4C11H16 (1)
Stoich.:	AB4C4D11E16 (1)
Weight, g/mol:	651.16603
ΔH_f, kcal/mol:	-165.26
Dipole, Da:	4.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756812
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(=O)[O-])(CN=[N+]=[N-])F

DOS

IR

Vibrations