Geometry & MOs

Info

ID:	138936
PubChem CID:	52446256
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	344.055681
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	3.69
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-4-(1,3-benzothiazol-2-yl)-5-(3,4-difluorophenyl)pent-4-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC[C@H](COC2=CC=CC(=C2)C)O

DOS

IR

Vibrations