Geometry & MOs

Info

ID:	414954
PubChem CID:	135087934
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	418.224991
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	5.75
IP(EA), eV:	-9.25(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N2CC[C@@]3(CCN(C[C@@H]3C2)C(=O)CC4=CC=C(C=C4)OCCN5C=C1N=N5)O

DOS

IR

Vibrations