Geometry & MOs

Info

ID:	168133
PubChem CID:	74928337
Reduced:	N2F3O4C11H19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	507.303239
ΔH_f, kcal/mol:	-280.87
Dipole, Da:	4.61
IP(EA), eV:	-10.31(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetamido-3-methylbutanoyl)-N-[2-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3,3-trifluoropropyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC)NC(C(C)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations