Geometry & MOs

Info

ID:	426376
PubChem CID:	135143669
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	5.92
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-butyl-N,3-dimethyl-4-oxo-5-[(4-phenylmethoxyphenyl)methyl]imidazolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1N(C(=O)[C@@H](N1C(=O)N(C)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3)C

DOS

IR

Vibrations