Geometry & MOs

Info

ID:	243524
PubChem CID:	99226168
Reduced:	FSO2N3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	473.17329
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	7.47
IP(EA), eV:	-8.48(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanoyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations