Geometry & MOs

Info

ID:	64627
PubChem CID:	29203493
Reduced:	N3O6H23C25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	328.160935
ΔH_f, kcal/mol:	-111.35
Dipole, Da:	4.24
IP(EA), eV:	-9.14(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations