Geometry & MOs

Info

ID:	161291
PubChem CID:	57391274
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	433.147156
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	7.55
IP(EA), eV:	-8.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations