Geometry & MOs

Info

ID:	27755
PubChem CID:	823443
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	313.034354
ΔH_f, kcal/mol:	-110.16
Dipole, Da:	6.66
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylcarbamothioyl)benzamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations