Geometry & MOs

Info

ID:	244545
PubChem CID:	99364884
Reduced:	BrSN2O2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	454.164105
ΔH_f, kcal/mol:	54.38
Dipole, Da:	2.07
IP(EA), eV:	-9.46(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)/C=C/C3=CC=C(S3)Br

DOS

IR

Vibrations