Geometry & MOs

Info

ID:	429651
PubChem CID:	135169701
Reduced:	N2O2F4C11H16 (1)
Stoich.:	A2B2C4D11E16 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-263.97
Dipole, Da:	4.6
IP(EA), eV:	-8.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-methoxy-2-(methylamino)-2,3-dihydro-1,3-benzothiazol-6-yl]oxymethyl]pyridin-2-yl]-3-methylurea

Drug info:

PubChemData

Smile

C1COCCN1C(=C(C(F)(F)F)F)N2CCOCC2

DOS

IR

Vibrations