Geometry & MOs

Info

ID:	44358
PubChem CID:	10503107
Reduced:	ClFSN4H18C23 (1)
Stoich.:	ABCD4E18F23 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	95.6
Dipole, Da:	2.85
IP(EA), eV:	-8.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-1-benzyl-3-[(2R)-2-(benzylamino)propanoyl]-2-oxoimidazolidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C/C(=C\CC(=S)NC2=CC(=CC=C2)F)/N3C4=CC=CC=C4N=N3)Cl

DOS

IR

Vibrations