Geometry & MOs

Info

ID:	236826
PubChem CID:	92714845
Reduced:	SN3O4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	458.143092
ΔH_f, kcal/mol:	-153.39
Dipole, Da:	3.21
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-7-methylsulfanylquinolin-3-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C1=O)CC(=O)N[C@H]4CCCC5=CC=CC=C45)C

DOS

IR

Vibrations