Geometry & MOs

Info

ID:	372228
PubChem CID:	131294478
Reduced:	CHN (7)
Stoich.:	ABC (7)
Weight, g/mol:	223.030314
ΔH_f, kcal/mol:	130.75
Dipole, Da:	3.33
IP(EA), eV:	-9.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylsulfanyl-1,3-benzoxazol-2-yl)acetic acid

Drug info:

PubChemData

Smile

CN1C2=NC=NC(=C2N=N1)NCC#N

DOS

IR

Vibrations