Geometry & MOs

Info

ID:	32634
PubChem CID:	7847012
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	374.99286
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	2.6
IP(EA), eV:	-9.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations