Geometry & MOs

Info

ID:	237559
PubChem CID:	92719747
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	516.150112
ΔH_f, kcal/mol:	-2.82
Dipole, Da:	7.09
IP(EA), eV:	-8.6(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-oxo-1-[4-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NC1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations