Geometry & MOs

Info

ID:	64610
PubChem CID:	29203223
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	2.48
IP(EA), eV:	-9.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-acetamidophenyl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC=CC(=C2)NC(=O)C

DOS

IR

Vibrations