Geometry & MOs

Info

ID:	43173
PubChem CID:	10319020
Reduced:	ClNO3C22H42 (1)
Stoich.:	ABC3D22E42 (1)
Weight, g/mol:	404.14193
ΔH_f, kcal/mol:	-231.08
Dipole, Da:	2.63
IP(EA), eV:	-9.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-6-ylamino)-6-(2-benzylpyrrolidin-1-yl)-1H-1,3,5-triazin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[C@@H](C(=O)CCl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations