Geometry & MOs

Info

ID:	135146
PubChem CID:	51824692
Reduced:	N2S2O5C18H20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	404.161518
ΔH_f, kcal/mol:	-180.44
Dipole, Da:	4.26
IP(EA), eV:	-8.99(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCC(=O)N[C@H]3CSC[C@H]3O

DOS

IR

Vibrations