Geometry & MOs

Info

ID:	426380
PubChem CID:	135143675
Reduced:	ClO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	5.69
IP(EA), eV:	-8.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-butyl-N,3,5-trimethyl-4-oxoimidazolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CC/C(=C/C(=C(\C=C)/OC)/Cl)/C)C[C@H](C)N4CCOCC4

DOS

IR

Vibrations