Geometry & MOs

Info

ID:	418732
PubChem CID:	135106653
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	498.270302
ΔH_f, kcal/mol:	-6.13
Dipole, Da:	5.04
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CN=C(N=C3C4=CC=CC=C4)N

DOS

IR

Vibrations