Geometry & MOs

Info

ID:	423087
PubChem CID:	135118916
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	629.332568
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	5.74
IP(EA), eV:	-9.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CC(C)[C@H](C(=O)N(CCO)CC1=NC=CN1)O

DOS

IR

Vibrations