Geometry & MOs

Info

ID:	429380
PubChem CID:	135169403
Reduced:	O2S2H20C23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	23.0
Dipole, Da:	1.44
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[[2-[[(2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CSC(=C1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)OCC4=CC=CS4

DOS

IR

Vibrations