Geometry & MOs

Info

ID:	416909
PubChem CID:	135090769
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	353.138699
ΔH_f, kcal/mol:	-65.86
Dipole, Da:	5.93
IP(EA), eV:	-8.92(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(S2)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations