Geometry & MOs

Info

ID:	219774
PubChem CID:	85164883
Reduced:	SO4N5C32H45 (1)
Stoich.:	AB4C5D32E45 (1)
Weight, g/mol:	595.200462
ΔH_f, kcal/mol:	-162.22
Dipole, Da:	5.85
IP(EA), eV:	-8.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[(2,5-dichlorophenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=C(N=C(S1)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)N4CCCCCC4)C(=O)OCC

DOS

IR

Vibrations