Geometry & MOs

Info

ID:	84328
PubChem CID:	49865830
Reduced:	FSN2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	5.17
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1C2C(CO1)CSC3=C2C=C(C=C3)F

DOS

IR

Vibrations