Geometry & MOs

Info

ID:	416161
PubChem CID:	135089169
Reduced:	ClNSO4C19H26 (1)
Stoich.:	ABCD4E19F26 (1)
Weight, g/mol:	550.326754
ΔH_f, kcal/mol:	-170.33
Dipole, Da:	8.26
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-8-propan-2-yl-14-(pyridin-3-ylmethyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCC3(CC2)C=C(CCO3)C

DOS

IR

Vibrations