Geometry & MOs

Info

ID:

179696

PubChem CID:

76519995

Reduced:

SN4O10C36H52 (1)

Stoich.:

AB4C10D36E52 (1)

Weight, g/mol:

654.284707

ΔHf, kcal/mol:

-403.55

Dipole, Da:

13.54

IP(EA), eV:

 -9.4(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)NCCCC(C)(C)CN(CC(C(CC1=CC=CC=C1)N(C2COC3C2CCO3)C(=O)O)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations