Geometry & MOs

Info

ID:	326471
PubChem CID:	126687628
Reduced:	NS2O5C11H21 (1)
Stoich.:	AB2C5D11E21 (1)
Weight, g/mol:	377.250084
ΔH_f, kcal/mol:	-246.3
Dipole, Da:	5.63
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6-trimethyl-4-methylidene-N-[(6R)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]heptanamide

Drug info:

PubChemData

Smile

CC(C)CCSSCCNC(=O)[C@@H]([C@H](C(=O)O)O)O

DOS

IR

Vibrations