Geometry & MOs

Info

ID:	142950
PubChem CID:	53120932
Reduced:	FO3N6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	472.141656
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	3.32
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)CCNC(=O)N1CCN(CC1)CC2=NC3=C(N2C4=CC(=CC=C4)F)N=CC=C3

DOS

IR

Vibrations