Geometry & MOs

Info

ID:	84527
PubChem CID:	49867300
Reduced:	PN3O7C10H17 (1)
Stoich.:	AB3C7D10E17 (1)
Weight, g/mol:	337.107399
ΔH_f, kcal/mol:	-349.67
Dipole, Da:	6.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903581
Charge, e:	0

Chem-info

IUPAC name:

2-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C(=CC=[N+](C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N

DOS

IR

Vibrations