Geometry & MOs

Info

ID:	234535
PubChem CID:	92298627
Reduced:	SN4O6C28H30 (1)
Stoich.:	AB4C6D28E30 (1)
Weight, g/mol:	550.188606
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	3.43
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(R)-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl]-quinolin-3-ylamino]-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN(C2=CC3=CC=CC=C3N=C2)C(=O)C[S@@](=O)CC(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations