Geometry & MOs

Info

ID:	139099
PubChem CID:	52472252
Reduced:	O2S2N3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	373.091869
ΔH_f, kcal/mol:	-17.24
Dipole, Da:	4.48
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CCNC(=O)C3=CC=CS3

DOS

IR

Vibrations