Geometry & MOs

Info

ID:	429357
PubChem CID:	135169375
Reduced:	N3C7H11 (1)
Stoich.:	A3B7C11 (1)
Weight, g/mol:	511.111474
ΔH_f, kcal/mol:	42.82
Dipole, Da:	2.8
IP(EA), eV:	-9.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-2-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1N=C2CCNCC2=N1

DOS

IR

Vibrations