Geometry & MOs

Info

ID:	195439
PubChem CID:	78685926
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	412.232185
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	4.95
IP(EA), eV:	-9.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NN=C(O2)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations