Geometry & MOs

Info

ID:	420038
PubChem CID:	135110828
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	645.313804
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	3.31
IP(EA), eV:	-9.11(-1.21)
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-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4)CO

DOS

IR

Vibrations