Geometry & MOs

Info

ID:	57949
PubChem CID:	24398011
Reduced:	ClN5O5C22H30 (1)
Stoich.:	AB5C5D22E30 (1)
Weight, g/mol:	362.031433
ΔH_f, kcal/mol:	-225.77
Dipole, Da:	8.45
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-chloro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=O)N(CCOC)C2=C(N(C(=O)NC2=O)CC(C)C)N

DOS

IR

Vibrations