Geometry & MOs

Info

ID:	296893
PubChem CID:	117599598
Reduced:	O2S3C5H12 (1)
Stoich.:	A2B3C5D12 (1)
Weight, g/mol:	335.144533
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	1.56
IP(EA), eV:	-9.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-cyclopropyl-5-(3,4-difluorophenyl)-3-(oxan-4-yl)imidazol-4-one

Drug info:

PubChemData

Smile

C(CC(C(S)(S)S)O)CO

DOS

IR

Vibrations