Geometry & MOs

Info

ID:	40941
PubChem CID:	8144993
Reduced:	ClO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-82.49
Dipole, Da:	2.98
IP(EA), eV:	-9.0(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C/C(=N\NC(=O)C2=CC=C(C=C2)NC(=O)C)/C

DOS

IR

Vibrations