Geometry & MOs

Info

ID:	429518
PubChem CID:	135169567
Reduced:	NO2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	452.108518
ΔH_f, kcal/mol:	-22.7
Dipole, Da:	1.12
IP(EA), eV:	-8.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[[6-[(2-amino-3-fluoropyridin-4-yl)methoxy]-7-chloro-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2CC3=C(C2)C=C(C=C3)C(O)OC)C4=CC=CC=C4

DOS

IR

Vibrations