Geometry & MOs

Info

ID:	135401
PubChem CID:	51866891
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	26.39
Dipole, Da:	5.02
IP(EA), eV:	-8.81(-0.72)
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-[(1S)-1-phenylethoxy]propyl]pentanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)N(C)C

DOS

IR

Vibrations