Geometry & MOs

Info

ID:	153884
PubChem CID:	56313219
Reduced:	FO2N4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	453.133397
ΔH_f, kcal/mol:	8.81
Dipole, Da:	2.53
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations