Geometry & MOs

Info

ID:	423358
PubChem CID:	135119358
Reduced:	ClNO5C15H18 (1)
Stoich.:	ABC5D15E18 (1)
Weight, g/mol:	453.20459
ΔH_f, kcal/mol:	-192.18
Dipole, Da:	1.57
IP(EA), eV:	-8.76(-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-3-ylsulfonyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CN([C@H]1COC[C@@H]1O)C(=O)CC2=CC3=C(C=C2Cl)OCCO3

DOS

IR

Vibrations