Geometry & MOs

Info

ID:	318258
PubChem CID:	126650126
Reduced:	SO3F4N4H20C25 (1)
Stoich.:	AB3C4D4E20F25 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-206.81
Dipole, Da:	6.69
IP(EA), eV:	-9.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-hydroxypropyl)-3-(4-prop-2-enoxyimidazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations