Geometry & MOs

Info

ID:	185379
PubChem CID:	77292170
Reduced:	SF3N3O4C27H30 (1)
Stoich.:	AB3C3D4E27F30 (1)
Weight, g/mol:	514.283158
ΔH_f, kcal/mol:	-266.82
Dipole, Da:	7.65
IP(EA), eV:	-9.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(4-phenylmethoxyphenyl)-(2-phenylpropanoylamino)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=CC=C2S(=O)(=O)C3CCCC3)OCC4=CC=CC=C4

DOS

IR

Vibrations