Geometry & MOs

Info

ID:	415543
PubChem CID:	135088539
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	403.25834
ΔH_f, kcal/mol:	-104.08
Dipole, Da:	3.82
IP(EA), eV:	-9.17(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-methyl-5-propan-2-yl-11-(pyridin-4-ylmethyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations