Geometry & MOs

Info

ID:	157702
PubChem CID:	56436634
Reduced:	O3N7H21C23 (1)
Stoich.:	A3B7C21D23 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	69.33
Dipole, Da:	3.09
IP(EA), eV:	-9.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]pentanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CO4)C5=CN=CC=C5

DOS

IR

Vibrations