Geometry & MOs

Info

ID:	429471
PubChem CID:	135169520
Reduced:	N2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	434.117939
ΔH_f, kcal/mol:	4.21
Dipole, Da:	2.42
IP(EA), eV:	-8.09(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC1=CC=CC(=C1)CC(C)(C)NCC2=CC=CC=C2

DOS

IR

Vibrations