Geometry & MOs

Info

ID:	237555
PubChem CID:	92719737
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	418.113333
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	3.55
IP(EA), eV:	-7.86(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1[C@H]2[C@@H]3CCCO[C@@H]3C4=C(N2)C=CC(=C4)C

DOS

IR

Vibrations