Geometry & MOs

Info

ID:	423261
PubChem CID:	135119201
Reduced:	OSN4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	707.354366
ΔH_f, kcal/mol:	3.51
Dipole, Da:	7.11
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-[2-(2H-tetrazol-5-yl)benzoyl]-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)N(CCN(C)C)CC2=CN=CN2

DOS

IR

Vibrations