Geometry & MOs

Info

ID:	237542
PubChem CID:	92719573
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	4.82
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[6-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-1,3-benzothiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CO1)NC(=O)CCC2=CC3=C(C=C2)N=C(S3)NC(=O)C

DOS

IR

Vibrations