Geometry & MOs

Info

ID:	429427
PubChem CID:	135169476
Reduced:	O5N8C31H42 (1)
Stoich.:	A5B8C31D42 (1)
Weight, g/mol:	404.107375
ΔH_f, kcal/mol:	-169.85
Dipole, Da:	2.28
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=C(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)C

DOS

IR

Vibrations