Geometry & MOs

Info

ID:	60035
PubChem CID:	26665714
Reduced:	NO5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	429.151098
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	3.96
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations