Geometry & MOs

Info

ID:

179697

PubChem CID:

76520131

Reduced:

ClO4N5C37H41 (1)

Stoich.:

AB4C5D37E41 (1)

Weight, g/mol:

655.292532

ΔHf, kcal/mol:

-81.98

Dipole, Da:

9.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774430

Charge, e:

 0

Chem-info

IUPAC name:

benzyl-[2-[1-[3-(3-chlorophenyl)-4-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]butyl]piperidin-4-yl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CCN(CC2=CC=CC=C2)C(=O)[O-])CCC(CN3C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations